4-amino-N-methyl-N-phenylbenzene-1-sulfonamide

• ChemBase ID: 21534
• Molecular Formular: C13H14N2O2S
• Molecular Mass: 262.32746
• Monoisotopic Mass: 262.0775987
• SMILES: S(=O)(=O)(N(c1ccccc1)C)c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)S(=O)(=O)N(c1ccccc1)C
• InChI: InChI=1S/C13H14N2O2S/c1-15(12-5-3-2-4-6-12)18(16,17)13-9-7-11(14)8-10-13/h2-10H,14H2,1H3
• InChIKey: CFXMWOQQTYMARQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-methyl-N-phenylbenzene-1-sulfonamide
• IUPAC Traditional name: 4-amino-N-methyl-N-phenylbenzenesulfonamide
• Synonyms: 4-Amino-N-methyl-N-phenylbenzenesulfonamide

Database IDs

• MDL Number: MFCD04576553
• PubChem SID: 160984841
• PubChem CID: 308590

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8554009
• LogD (pH = 7.4): 1.8556579
• Log P: 1.8556612
• Molar Refractivity: 72.4873 cm^3
• Polarizability: 28.166204 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false