N-(2-aminophenyl)methanesulfonamide

• ChemBase ID: 254407
• Molecular Formular: C7H10N2O2S
• Molecular Mass: 186.2315
• Monoisotopic Mass: 186.04629857
• SMILES: S(=O)(=O)(Nc1c(N)cccc1)C
• Canonical SMILES: Nc1ccccc1NS(=O)(=O)C
• InChI: InChI=1S/C7H10N2O2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,8H2,1H3
• InChIKey: BGPNDOBOLHJJEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 37073-18-0
• MDL Number: MFCD09045405
• PubChem SID: 164310317
• PubChem CID: 241357

CALCULATED PROPERTIES

• Acid pKa: 10.461076
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.48828235
• LogD (pH = 7.4): -0.48300308
• Log P: -0.48254097
• Molar Refractivity: 47.4416 cm^3
• Polarizability: 18.644161 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102 - 104°C
• Hydrophobicity(logP): -0.276

Product Information

• Purity: 95%