4-fluoro-N-(3-hydroxyphenyl)benzene-1-sulfonamide

• ChemBase ID: 267650
• Molecular Formular: C12H10FNO3S
• Molecular Mass: 267.2761032
• Monoisotopic Mass: 267.03654241
• SMILES: S(=O)(=O)(Nc1cc(O)ccc1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)O
• InChI: InChI=1S/C12H10FNO3S/c13-9-4-6-12(7-5-9)18(16,17)14-10-2-1-3-11(15)8-10/h1-8,14-15H
• InChIKey: ZSDXLBSWQIWWDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-N-(3-hydroxyphenyl)benzene-1-sulfonamide
• IUPAC Traditional name: 4-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
• Synonyms: 4-fluoro-N-(3-hydroxyphenyl)benzene-1-sulfonamide

Database IDs

• MDL Number: MFCD11537674
• PubChem SID: 164323560
• PubChem CID: 3805751

CALCULATED PROPERTIES

• Acid pKa: 7.822913
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2982183
• LogD (pH = 7.4): 2.1768768
• Log P: 2.3000476
• Molar Refractivity: 65.0875 cm^3
• Polarizability: 25.52006 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.358

Product Information

• Purity: 95%