(4-fluorophenyl)methanesulfonamide

• ChemBase ID: 257837
• Molecular Formular: C7H8FNO2S
• Molecular Mass: 189.2073232
• Monoisotopic Mass: 189.02597772
• SMILES: S(=O)(=O)(Cc1ccc(F)cc1)N
• Canonical SMILES: Fc1ccc(cc1)CS(=O)(=O)N
• InChI: InChI=1S/C7H8FNO2S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
• InChIKey: LDFNZIDBHPXLBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)methanesulfonamide
• IUPAC Traditional name: (4-fluorophenyl)methanesulfonamide
• Synonyms: 1-(4-fluorophenyl)methanesulfonamide

Database IDs

• MDL Number: MFCD09731823
• PubChem SID: 164313747
• PubChem CID: 16785078

CALCULATED PROPERTIES

• Acid pKa: 10.946285
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.48411337
• LogD (pH = 7.4): 0.4840054
• Log P: 0.48411477
• Molar Refractivity: 43.0197 cm^3
• Polarizability: 17.24208 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122 - 124°C
• Hydrophobicity(logP): 0.417

Product Information

• Purity: 95%