Mln3126 (CAS 628300-71-0): price, suppliers and safety

What is Mln3126?

Plain description, key identifiers and synonyms

Mln3126 is a chemical substance with the molecular formula C21H19ClN2O5S and a molar mass of 446.91 g/mol. Its CAS registry number is 628300-71-0. The IUPAC name is N-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: N-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide
CAS number: 628300-71-0
Molecular formula: C₂₁H₁₉ClN₂O₅S
InChIKey: YSCNTJOPTXIIJO-UHFFFAOYSA-N
InChI: InChI=1S/C21H19ClN2O5S/c1-14(2)29-17-4-6-18(7-5-17)30(27,28)23-20-8-3-16(22)13-19(20)21(25)15-9-11-24(26)12-10-15/h3-14,23H,1-2H3
SMILES (canonical and isomeric): CC(C)OC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=[N+](C=C3)[O-]

Synonyms

4-(5-Chloro-2-((4-isopropoxyphenyl)sulfonamido)benzoyl)pyridine 1-oxide
N-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	446.91 g/molcalc.
Exact mass	446.0703 Dacalc.
LogP (octanol/water)	3.79calc.
Topological polar surface area	99.41 Å²calc.
Hydrogen bond donors	1calc.
Hydrogen bond acceptors	5calc.
Rotatable bonds	7calc.
Heavy atoms	30calc.
Rings	3calc.
Aromatic rings	3calc.
Fraction sp3 carbons	0.14calc.
Formal charge	0calc.
Stereocentres	0calc.
Lipinski rule of five	Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=C(c1ccncc1)c1ccccc1NS(=O)(=O)c1ccccc1

3 rings, 24 atoms.

13 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Mln3126 suppliers

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Mln3126 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Mln3126 is traded under.

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024

$5.64B

−11.0% vs 2023, imports $8.56B

2019 to 2024

Top exporters

Ireland43.1%
China12.0%
India * partner reported9.5%

Top importers

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Mln3126 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

N-(4-Chloro-2-isonicotinoylphenyl)-4-isopropoxybenzenesulfonamide chemical structure, C21H19ClN2O4S, CAS 628300-70-9

Vercirnon chemical structure, C22H21ClN2O4S, CAS 698394-73-9

N-[4-Chloro-2-(pyridine-4-carbonyl)-phenyl]-4-methoxy-benzenesulfonamide chemical structure, C19H15ClN2O4S, CAS 698394-74-0

Same formula isomers

Different compounds that share this molecular formula

All isomers

N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-chlorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide chemical structure, C21H19ClN2O5S, CAS 1015865-22-1

N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(((2-(2-chlorophenyl)-5-methyloxazol-4-yl)methyl)sulfinyl)acetamide1015865-22-1C₂₁H₁₉ClN₂O₅S

N-(1,3-Benzodioxol-5-ylmethyl)-2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfinyl)acetamide chemical structure, C21H19ClN2O5S, CAS 1015858-82-8

N-(1,3-Benzodioxol-5-ylmethyl)-2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfinyl)acetamide1015858-82-8C₂₁H₁₉ClN₂O₅S

N-[3-[(2-Chlorophenyl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide chemical structure, C21H19ClN2O5S, CAS 736166-06-6

N-[3-[(2-Chlorophenyl)sulfamoyl]phenyl]-2,6-dimethoxybenzamide736166-06-6C₂₁H₁₉ClN₂O₅S

N-(4-{[(4-Chlorophenyl)sulfonyl]amino}-2,5-dimethoxyphenyl)benzamide chemical structure, C21H19ClN2O5S, CAS 432524-16-8

N-(4-{[(4-Chlorophenyl)sulfonyl]amino}-2,5-dimethoxyphenyl)benzamide432524-16-8C₂₁H₁₉ClN₂O₅S

N'-Benzyl-N-[2-(4-chlorobenzenesulfonyl)-2-(furan-2-yl)ethyl]ethanediamide chemical structure, C21H19ClN2O5S, CAS 877816-19-8

N'-Benzyl-N-[2-(4-chlorobenzenesulfonyl)-2-(furan-2-yl)ethyl]ethanediamide877816-19-8C₂₁H₁₉ClN₂O₅S

2-Chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]benzamide chemical structure, C21H19ClN2O5S, CAS 432508-34-4

2-Chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]benzamide432508-34-4C₂₁H₁₉ClN₂O₅S

6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-(4-chlorophenoxy)-2-methylpropanoate chemical structure, C21H19ClN2O5S, CAS 877637-06-4

6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-(4-chlorophenoxy)-2-methylpropanoate877637-06-4C₂₁H₁₉ClN₂O₅S

Methyl 3-(4-chlorobenzyl)-2-((2-ethoxy-2-oxoethyl)thio)-4-oxo-3,4-dihydroquinazoline-7-carboxylate chemical structure, C21H19ClN2O5S, CAS 422273-73-2

Methyl 3-(4-chlorobenzyl)-2-((2-ethoxy-2-oxoethyl)thio)-4-oxo-3,4-dihydroquinazoline-7-carboxylate422273-73-2C₂₁H₁₉ClN₂O₅S

3-Chloro-N-(2-(furan-2-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)-4-methoxybenzenesulfonamide chemical structure, C21H19ClN2O5S, CAS 955724-31-9

3-Chloro-N-(2-(furan-2-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)-4-methoxybenzenesulfonamide955724-31-9C₂₁H₁₉ClN₂O₅S

5-Chloro-N-(2-(furan-2-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)-2-methoxybenzenesulfonamide chemical structure, C21H19ClN2O5S, CAS 955724-39-7

5-Chloro-N-(2-(furan-2-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)-2-methoxybenzenesulfonamide955724-39-7C₂₁H₁₉ClN₂O₅S

Ethyl 4-[3-({2-[(4-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate chemical structure, C21H19ClN2O5S, CAS 330864-75-0

Ethyl 4-[3-({2-[(4-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate330864-75-0C₂₁H₁₉ClN₂O₅S

6-Chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyrrolidine-1-carbonyl)-4H-1lambda6,4-benzothiazine-1,1-dione chemical structure, C21H19ClN2O5S, CAS 1190007-12-5

6-Chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyrrolidine-1-carbonyl)-4H-1lambda6,4-benzothiazine-1,1-dione1190007-12-5C₂₁H₁₉ClN₂O₅S

Frequently asked questions

Quick answers about Mln3126, based on the data on this page

What is Mln3126?

Mln3126 is a chemical substance with the molecular formula C21H19ClN2O5S and a molar mass of 446.91 g/mol. Its CAS registry number is 628300-71-0. The IUPAC name is N-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide.

What is the CAS number of Mln3126?

The CAS registry number of Mln3126 is 628300-71-0.

What is the molecular formula and weight of Mln3126?

The molecular formula of Mln3126 is C21H19ClN2O5S and its molar mass is 446.91 g/mol.

What is Mln3126 used for?

Known uses and roles of Mln3126 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Mln3126 hazardous?

No GHS hazard classification for Mln3126 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Mln3126?

Mln3126 is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Mln3126?

Post a free request on CompoundList and suppliers of Mln3126 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Mln3126?

Suppliers quote Mln3126 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Mln3126

Mln3126

Key facts

What is Mln3126?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Mln3126 suppliers

Mln3126 price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Mln3126?

What is the CAS number of Mln3126?

What is the molecular formula and weight of Mln3126?

What is Mln3126 used for?

Is Mln3126 hazardous?

What is the HS code of Mln3126?

Where can I buy Mln3126?

What is the price of Mln3126?

Guides for buyers

Get quotes for Mln3126

Key facts

What is Mln3126?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Mln3126 suppliers

Mln3126 price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Similar structures

Same formula isomers

Frequently asked questions

What is Mln3126?

What is the CAS number of Mln3126?

What is the molecular formula and weight of Mln3126?

What is Mln3126 used for?

Is Mln3126 hazardous?

What is the HS code of Mln3126?

Where can I buy Mln3126?

What is the price of Mln3126?

Guides for buyers

Get quotes for Mln3126