N-(4-fluorophenyl)-4-hydroxybenzene-1-sulfonamide

• ChemBase ID: 281408
• Molecular Formular: C12H10FNO3S
• Molecular Mass: 267.2761032
• Monoisotopic Mass: 267.03654241
• SMILES: S(=O)(=O)(Nc1ccc(F)cc1)c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)F
• InChI: InChI=1S/C12H10FNO3S/c13-9-1-3-10(4-2-9)14-18(16,17)12-7-5-11(15)6-8-12/h1-8,14-15H
• InChIKey: FQFWLTCRDSBBNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-4-hydroxybenzene-1-sulfonamide
• IUPAC Traditional name: N-(4-fluorophenyl)-4-hydroxybenzenesulfonamide
• Synonyms: N-(4-fluorophenyl)-4-hydroxybenzene-1-sulfonamide

Database IDs

• MDL Number: MFCD11537399
• PubChem SID: 180666939
• PubChem CID: 28302954

CALCULATED PROPERTIES

• Acid pKa: 7.9433312
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2985828
• LogD (pH = 7.4): 2.1968572
• Log P: 2.3000476
• Molar Refractivity: 65.0875 cm^3
• Polarizability: 25.520191 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.623

Product Information

• Purity: 95%