2-hydroxybenzene-1-sulfonamide

• ChemBase ID: 239366
• Molecular Formular: C6H7NO3S
• Molecular Mass: 173.18968
• Monoisotopic Mass: 173.01466409
• SMILES: S(=O)(=O)(c1c(O)cccc1)N
• Canonical SMILES: Oc1ccccc1S(=O)(=O)N
• InChI: InChI=1S/C6H7NO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h1-4,8H,(H2,7,9,10)
• InChIKey: MOXDGMSQFFMNHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxybenzene-1-sulfonamide
• IUPAC Traditional name: 2-hydroxybenzenesulfonamide
• Synonyms: 2-hydroxybenzene-1-sulfonamide

Database IDs

• MDL Number: MFCD16999684
• PubChem SID: 164295276
• PubChem CID: 637546

CALCULATED PROPERTIES

• Acid pKa: 7.160965
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.2664158
• LogD (pH = 7.4): -0.15464798
• Log P: 0.27571127
• Molar Refractivity: 40.1968 cm^3
• Polarizability: 16.279615 Å^3
• Polar Surface Area: 80.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 - 137°C
• Hydrophobicity(logP): 0.259

Product Information

• Purity: 95%