N-(2-hydroxyphenyl)methanesulfonamide

• ChemBase ID: 312672
• Molecular Formular: C7H9NO3S
• Molecular Mass: 187.21626
• Monoisotopic Mass: 187.03031415
• SMILES: S(=O)(=O)(Nc1c(O)cccc1)C
• Canonical SMILES: Oc1ccccc1NS(=O)(=O)C
• InChI: InChI=1S/C7H9NO3S/c1-12(10,11)8-6-4-2-3-5-7(6)9/h2-5,8-9H,1H3
• InChIKey: KVHRISPSSMDQOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 6912-38-5
• MDL Number: MFCD00463900

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6916848
• LogD (pH = 7.4): 0.6066489
• Log P: 0.69281965
• Molar Refractivity: 44.7221 cm^3
• Polarizability: 18.133406 Å^3
• Polar Surface Area: 66.4 Å^2