N-(2-aminophenyl)benzenesulfonamide

• ChemBase ID: 266127
• Molecular Formular: C12H12N2O2S
• Molecular Mass: 248.30088
• Monoisotopic Mass: 248.06194863
• SMILES: S(=O)(=O)(Nc1c(N)cccc1)c1ccccc1
• Canonical SMILES: Nc1ccccc1NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C12H12N2O2S/c13-11-8-4-5-9-12(11)14-17(15,16)10-6-2-1-3-7-10/h1-9,14H,13H2
• InChIKey: KGFXBBKICOQXTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminophenyl)benzenesulfonamide
• IUPAC Traditional name: N-(2-aminophenyl)benzenesulfonamide
• Synonyms: N-(2-aminophenyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD00719010
• PubChem SID: 164322037
• PubChem CID: 854755

CALCULATED PROPERTIES

• Acid pKa: 7.737927
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6252253
• LogD (pH = 7.4): 1.4898913
• Log P: 1.6319852
• Molar Refractivity: 67.5906 cm^3
• Polarizability: 26.328127 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 1.353

Product Information

• Purity: 95%