4-fluoro-3-[2-(furan-2-yl)pyrrolidine-1-carbonyl]benzene-1-sulfonamide

• ChemBase ID: 836420
• Molecular Formular: C15H15FN2O4S
• Molecular Mass: 338.3540032
• Monoisotopic Mass: 338.07365619
• SMILES: C(=O)(N1C(c2occc2)CCC1)c1cc(S(=O)(=O)N)ccc1F
• Canonical SMILES: Fc1ccc(cc1C(=O)N1CCCC1c1ccco1)S(=O)(=O)N
• InChI: InChI=1S/C15H15FN2O4S/c16-12-6-5-10(23(17,20)21)9-11(12)15(19)18-7-1-3-13(18)14-4-2-8-22-14/h2,4-6,8-9,13H,1,3,7H2,(H2,17,20,21)
• InChIKey: IUUANPSRDJYQJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-[2-(furan-2-yl)pyrrolidine-1-carbonyl]benzene-1-sulfonamide
• IUPAC Traditional name: 4-fluoro-3-[2-(furan-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide
• Synonyms: 4-fluoro-3-{[2-(2-furyl)-1-pyrrolidinyl]carbonyl}benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.548837
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2702209
• LogD (pH = 7.4): 1.2675347
• Log P: 1.2702552
• Molar Refractivity: 81.5188 cm^3
• Polarizability: 31.35649 Å^3
• Polar Surface Area: 93.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.0
• LOG S: -2.98
• Polar Surface Area: 93.61 Å^2
• Rotatable Bonds: 3