4-fluoro-3-(4-fluoropiperidine-1-carbonyl)benzene-1-sulfonamide

• ChemBase ID: 525068
• Molecular Formular: C12H14F2N2O3S
• Molecular Mass: 304.3129664
• Monoisotopic Mass: 304.06931976
• SMILES: S(=O)(=O)(c1cc(C(=O)N2CCC(CC2)F)c(cc1)F)N
• Canonical SMILES: FC1CCN(CC1)C(=O)c1cc(ccc1F)S(=O)(=O)N
• InChI: InChI=1S/C12H14F2N2O3S/c13-8-3-5-16(6-4-8)12(17)10-7-9(20(15,18)19)1-2-11(10)14/h1-2,7-8H,3-6H2,(H2,15,18,19)
• InChIKey: XSBFVQQMDYOWPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-(4-fluoropiperidine-1-carbonyl)benzene-1-sulfonamide
• IUPAC Traditional name: 4-fluoro-3-(4-fluoropiperidine-1-carbonyl)benzenesulfonamide
• Synonyms: 4-fluoro-3-[(4-fluoropiperidin-1-yl)carbonyl]benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.549689
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.22908796
• LogD (pH = 7.4): 0.22640713
• Log P: 0.22912231
• Molar Refractivity: 69.3363 cm^3
• Polarizability: 26.550247 Å^3
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.57
• LOG S: -2.24
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 2