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Screening compounds

Mdl-800

Also known as methyl 2-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]-5-(3,5-dichlorobenzenesulfonamido)benzoate, methyl 2-((5-bromo-4-fluoro-2-methylphenyl)sulfamoyl)-5-(3,5-dichlorobenzenesulfonamido)benzoate, methyl 2-(N-(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl)-5-(3,5-dichlorophenylsulfonamido)benzoate

CAS 2275619-53-7Formula C21H16BrCl2FN2O6S2Molar mass 626.31 g/mol
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Mdl-800 chemical structure, C21H16BrCl2FN2O6S2, CAS 2275619-53-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2275619-53-7
Formula
C21H16BrCl2FN2O6S2
Molar mass
626.31 g/mol
HS code
293590
Category
Screening compounds

What is Mdl-800?

Plain description, key identifiers and synonyms

Mdl-800 is a chemical substance with the molecular formula C21H16BrCl2FN2O6S2 and a molar mass of 626.31 g/mol. Its CAS registry number is 2275619-53-7. The IUPAC name is methyl 2-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]-5-[(3,5-dichlorophenyl)sulfonylamino]benzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 2-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]-5-[(3,5-dichlorophenyl)sulfonylamino]benzoate
CAS number
2275619-53-7
Molecular formula
C21H16BrCl2FN2O6S2
MDL number
MFCD31813709
InChIKey
FKFQBYBODAKGOA-UHFFFAOYSA-N
InChI
InChI=1S/C21H16BrCl2FN2O6S2/c1-11-5-18(25)17(22)10-19(11)27-35(31,32)20-4-3-14(9-16(20)21(28)33-2)26-34(29,30)15-7-12(23)6-13(24)8-15/h3-10,26-27H,1-2H3
SMILES (canonical and isomeric)
CC1=CC(=C(C=C1NS(=O)(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=CC(=C3)Cl)Cl)C(=O)OC)Br)F

Synonyms

  • methyl 2-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]-5-(3,5-dichlorobenzenesulfonamido)benzoate
  • methyl 2-((5-bromo-4-fluoro-2-methylphenyl)sulfamoyl)-5-(3,5-dichlorobenzenesulfonamido)benzoate
  • methyl 2-(N-(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl)-5-(3,5-dichlorophenylsulfonamido)benzoate
  • MDL 800
  • Methyl 2-(N-(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl)-5-((3,5-dichlorophenyl)sulfonamido)benzoate
  • C21H16BrCl2FN2O6S2
  • (MDL800)
  • MDL800?
  • methyl 2-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]-5-[(3,5-dichlorophenyl)sulfonylamino]benzoate
  • Benzoic acid, 2-[[(5-bromo-4-fluoro-2-methylphenyl)amino]sulfonyl]-5-[[(3,5-dichlorophenyl)sulfonyl]amino]-, methyl ester
  • Methyl 2-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]-5-{[(3,5-dichlorophenyl)sulfonyl]amino}benzoate

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
626.31 g/molcalc.
Exact mass
623.8994 Dacalc.
LogP (octanol/water)
5.59calc.
Topological polar surface area
118.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
35calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1

O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1

3 rings, 26 atoms, the 4-(Benzenesulfonamido)-N-phenylbenzenesulfonamide ring system.

34 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.

Mdl-800 suppliers

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  • Amerigo Scientific
    United States, HauppaugeUnclaimed profile
    Mdl-800Grade, purity and minimum order on request
    Price on request
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Mdl-800 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

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 Mdl-800 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
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

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

The HS code shown for Mdl-800 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Mdl-800, based on the data on this page

What is Mdl-800?

Mdl-800 is a chemical substance with the molecular formula C21H16BrCl2FN2O6S2 and a molar mass of 626.31 g/mol. Its CAS registry number is 2275619-53-7. The IUPAC name is methyl 2-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]-5-[(3,5-dichlorophenyl)sulfonylamino]benzoate.

What is the CAS number of Mdl-800?

The CAS registry number of Mdl-800 is 2275619-53-7.

What is the molecular formula and weight of Mdl-800?

The molecular formula of Mdl-800 is C21H16BrCl2FN2O6S2 and its molar mass is 626.31 g/mol.

What is Mdl-800 used for?

Known uses and roles of Mdl-800 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Mdl-800 hazardous?

No GHS hazard classification for Mdl-800 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 Mdl-800?

Mdl-800 is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Mdl-800?

CompoundList lists 1 supplier of Mdl-800 in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Mdl-800?

Suppliers quote Mdl-800 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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