4-bromo-N-(4-methylphenyl)benzenesulfonamide
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Basic information
- CAS
7454-58-2- Standard SMILES
Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1- InChIKey
BQGUNVMKKZJGGE-UHFFFAOYSA-N- Molecular formula
- C13H12BrNO2S
- Average molar mass
- 326.21 g/mol
- Monoisotopic mass
- 324.97721
Names & identifiers
- Preferred name
- 4-bromo-N-(4-methylphenyl)benzenesulfonamide
- IUPAC
- 4-bromo-N-(4-methylphenyl)benzenesulfonamide
- English name
- 4-BROMO-4'-METHYLBENZENESULFONANILIDE
- Molecular formula
- C13H12BrNO2S
- Molecular weight
- 326.21
Names & synonyms
7454-58-24-bromo-N-(4-methylphenyl)benzenesulfonamide4-Bromo-N-(p-tolyl)benzenesulfonamideBenzenesulfono-p-toluidide, 4-bromo-NSC6962WLN: ER C1 DMSWR4-Bromo-N-(4-methylphenyl)benzene-1-sulfonamideSCHEMBL97106SCHEMBL2831972SCHEMBL3366499NIOSH/DB86600004-Bromobenzenesulfono-p-toluidide
Show more names
4-BROMO-4'-METHYLBENZENESULFONANILIDEN-(p-Methylphenyl)-4-bromobenzenesulfonamideN-(4-Methylphenyl)-4-bromobenzenesulfonamideBenzenesulfonamide, 4-bromo-N-(4-methylphenyl)-
DTXSID90996064BQGUNVMKKZJGGE-UHFFFAOYSA-NN-p-tolyl-4-bromobenzenesulfonamideNSC-6962N-p-tolyl-4-bromo-benzenesulfonamideAKOS003981339DS-005298CS-0281389
Database identifiers
- CAS
7454-58-2- PubChem CID
- 221872
- DTXSID
DTXSID90996064- Nikkaji
- J54.507D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 99 °C · 99 °C(Solv: ethanol (64-17-5))
- Boiling point
- 431.5 · 431.5±55.0 °C(Predicted)
- Density
- 1.545 · 1.545±0.06 g/cm3(Predicted)
- pka
- 8.29 · 8.29±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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