N-(3-amino-4-fluorophenyl)methanesulfonamide

• ChemBase ID: 308816
• Molecular Formular: C7H9FN2O2S
• Molecular Mass: 204.2219632
• Monoisotopic Mass: 204.03687676
• SMILES: S(=O)(=O)(Nc1cc(c(cc1)F)N)C
• Canonical SMILES: Fc1ccc(cc1N)NS(=O)(=O)C
• InChI: InChI=1S/C7H9FN2O2S/c1-13(11,12)10-5-2-3-6(8)7(9)4-5/h2-4,10H,9H2,1H3
• InChIKey: VDHHFCYTUBBLSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-amino-4-fluorophenyl)methanesulfonamide
• IUPAC Traditional name: N-(3-amino-4-fluorophenyl)methanesulfonamide
• Synonyms: N-(3-amino-4-fluorophenyl)methanesulfonamide

Database IDs

• CAS Number: 926270-06-6
• MDL Number: MFCD09043448

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.34013498
• LogD (pH = 7.4): -0.34043476
• Log P: -0.339839
• Molar Refractivity: 47.658 cm^3
• Polarizability: 18.412655 Å^3
• Polar Surface Area: 72.19 Å^2