N-(4-hydroxy-2-methylphenyl)methanesulfonamide

• ChemBase ID: 312177
• Molecular Formular: C8H11NO3S
• Molecular Mass: 201.24284
• Monoisotopic Mass: 201.04596422
• SMILES: S(=O)(=O)(Nc1c(cc(cc1)O)C)C
• Canonical SMILES: Oc1ccc(c(c1)C)NS(=O)(=O)C
• InChI: InChI=1S/C8H11NO3S/c1-6-5-7(10)3-4-8(6)9-13(2,11)12/h3-5,9-10H,1-2H3
• InChIKey: LKNOILJFNZEBCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxy-2-methylphenyl)methanesulfonamide
• IUPAC Traditional name: N-(4-hydroxy-2-methylphenyl)methanesulfonamide
• Synonyms: N-(4-hydroxy-2-methylphenyl)methanesulfonamide

Database IDs

• CAS Number: 912895-74-0
• MDL Number: MFCD06434626

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5562107
• LogD (pH = 7.4): 0.55383444
• Log P: 0.5562411
• Molar Refractivity: 49.7633 cm^3
• Polarizability: 19.886393 Å^3
• Polar Surface Area: 66.4 Å^2