N-(3-chlorophenyl)benzenesulfonamide

• ChemBase ID: 301443
• Molecular Formular: C12H10ClNO2S
• Molecular Mass: 267.7313
• Monoisotopic Mass: 267.01207725
• SMILES: c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)Cl
• Canonical SMILES: Clc1cccc(c1)NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C12H10ClNO2S/c13-10-5-4-6-11(9-10)14-17(15,16)12-7-2-1-3-8-12/h1-9,14H
• InChIKey: CSVDFRYULHBWFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-chlorophenyl)benzenesulfonamide
• IUPAC Traditional name: N-(3-chlorophenyl)benzenesulfonamide
• Synonyms: N-(3-Chlorophenyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD00552411

CALCULATED PROPERTIES

• Acid pKa: 7.752361
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0628104
• LogD (pH = 7.4): 2.9267733
• Log P: 3.0649557
• Molar Refractivity: 67.695 cm^3
• Polarizability: 27.065748 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%