N-(2,3-dihydro-1-benzofuran-3-yl)-3-(pyrrolidine-1-carbonyl)benzene-1-sulfonamide

• ChemBase ID: 429109
• Molecular Formular: C19H20N2O4S
• Molecular Mass: 372.4381
• Monoisotopic Mass: 372.11437813
• SMILES: S(=O)(=O)(NC1c2c(OC1)cccc2)c1cc(C(=O)N2CCCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NC1COc2c1cccc2)N1CCCC1
• InChI: InChI=1S/C19H20N2O4S/c22-19(21-10-3-4-11-21)14-6-5-7-15(12-14)26(23,24)20-17-13-25-18-9-2-1-8-16(17)18/h1-2,5-9,12,17,20H,3-4,10-11,13H2
• InChIKey: ZWFQQFGKNXOWPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1-benzofuran-3-yl)-3-(pyrrolidine-1-carbonyl)benzene-1-sulfonamide
• IUPAC Traditional name: N-(2,3-dihydro-1-benzofuran-3-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
• Synonyms: N-(2,3-dihydro-1-benzofuran-3-yl)-3-(pyrrolidin-1-ylcarbonyl)benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.849048
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9617692
• LogD (pH = 7.4): 1.960421
• Log P: 1.9617865
• Molar Refractivity: 98.3024 cm^3
• Polarizability: 38.316223 Å^3
• Polar Surface Area: 75.71 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: 1.36
• LOG S: -3.08
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 3