N-(4-hydroxyphenyl)methanesulfonamide

• ChemBase ID: 257034
• Molecular Formular: C7H9NO3S
• Molecular Mass: 187.21626
• Monoisotopic Mass: 187.03031415
• SMILES: S(=O)(=O)(Nc1ccc(cc1)O)C
• Canonical SMILES: Oc1ccc(cc1)NS(=O)(=O)C
• InChI: InChI=1S/C7H9NO3S/c1-12(10,11)8-6-2-4-7(9)5-3-6/h2-5,8-9H,1H3
• InChIKey: YJASRJZSSUOGKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxyphenyl)methanesulfonamide
• IUPAC Traditional name: N-(4-hydroxyphenyl)methanesulfonamide
• Synonyms: N-(4-hydroxyphenyl)methanesulfonamide

Database IDs

• MDL Number: MFCD00720883
• PubChem SID: 164312944
• PubChem CID: 4483147

CALCULATED PROPERTIES

• Acid pKa: 9.522196
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.042778965
• LogD (pH = 7.4): 0.039597947
• Log P: 0.042819675
• Molar Refractivity: 44.7221 cm^3
• Polarizability: 18.131279 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Hydrophobicity(logP): 0.284

Product Information

• Purity: 95%