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Screening compounds

SC-558

Also known as SC 558, 1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenylpyrazole, 4-[5-(4-bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

CAS 845674-84-2Formula C16H11BrF3N3O2SMolar mass 446.25 g/mol
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SC-558 chemical structure, C16H11BrF3N3O2S, CAS 845674-84-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
845674-84-2
Formula
C16H11BrF3N3O2S
Molar mass
446.25 g/mol
HS code
293590
Category
Screening compounds

What is SC-558?

Plain description, key identifiers and synonyms

SC-558 is a chemical substance with the molecular formula C16H11BrF3N3O2S and a molar mass of 446.25 g/mol. Its CAS registry number is 845674-84-2. The IUPAC name is 4-[5-(4-bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[5-(4-bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CAS number
845674-84-2Other or deprecated CAS: 170569-93-4
Molecular formula
C16H11BrF3N3O2S
InChIKey
OYZKFVIVPRQRQQ-UHFFFAOYSA-N
InChI
InChI=1S/C16H11BrF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
SMILES (canonical and isomeric)
C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)Br

Synonyms

  • SC 558
  • 1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenylpyrazole
  • 4-[5-(4-bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
  • 4-(5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
  • 4-[5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
  • 4-[5-(4-Bromo-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
  • Benzenesulfonamide, 4-[5-(4-bromophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]-

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
446.25 g/molcalc.
Exact mass
444.9707 Dacalc.
LogP (octanol/water)
3.97calc.
Topological polar surface area
77.98 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.06calc.
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

Murcko scaffold of this chemical, c1ccc(-c2ccnn2-c2ccccc2)cc1

c1ccc(-c2ccnn2-c2ccccc2)cc1

3 rings, 17 atoms, the 1,5-Diphenyl-1H-pyrazole ring system.

451 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.

SC-558 suppliers

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SC-558 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 SC-558 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 SC-558 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about SC-558, based on the data on this page

What is SC-558?

SC-558 is a chemical substance with the molecular formula C16H11BrF3N3O2S and a molar mass of 446.25 g/mol. Its CAS registry number is 845674-84-2. The IUPAC name is 4-[5-(4-bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

What is the CAS number of SC-558?

The CAS registry number of SC-558 is 845674-84-2. Other or deprecated CAS numbers: 170569-93-4.

What is the molecular formula and weight of SC-558?

The molecular formula of SC-558 is C16H11BrF3N3O2S and its molar mass is 446.25 g/mol.

What is SC-558 used for?

Known uses and roles of SC-558 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is SC-558 hazardous?

No GHS hazard classification for SC-558 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 SC-558?

SC-558 is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy SC-558?

Post a free request on CompoundList and suppliers of SC-558 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of SC-558?

Suppliers quote SC-558 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 SC-558

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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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