N-phenylbenzenesulfonamide

• ChemBase ID: 288347
• Molecular Formular: C12H11NO2S
• Molecular Mass: 233.28624
• Monoisotopic Mass: 233.0510496
• SMILES: O=S(=O)(c1ccccc1)Nc1ccccc1
• Canonical SMILES: O=S(=O)(c1ccccc1)Nc1ccccc1
• InChI: InChI=1S/C12H11NO2S/c14-16(15,12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10,13H
• InChIKey: XAUGWFWQVYXATQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenylbenzenesulfonamide
• IUPAC Traditional name: benzenesulfanilide
• Synonyms: N-Phenylbenzenesulfonamide

Database IDs

• CAS Number: 1678-25-7
• MDL Number: MFCD00035919
• PubChem SID: 180673878
• PubChem CID: 74296

CALCULATED PROPERTIES

• Acid pKa: 7.8759913
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.459296
• LogD (pH = 7.4): 2.351934
• Log P: 2.460911
• Molar Refractivity: 62.8902 cm^3
• Polarizability: 25.184303 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%