N-benzyl[(2-methyl-1-benzofuran-7-yl)amino]sulfonamide

• ChemBase ID: 478422
• Molecular Formular: C16H16N2O3S
• Molecular Mass: 316.37484
• Monoisotopic Mass: 316.08816338
• SMILES: S(=O)(=O)(Nc1c2oc(cc2ccc1)C)NCc1ccccc1
• Canonical SMILES: Cc1cc2c(o1)c(ccc2)NS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C16H16N2O3S/c1-12-10-14-8-5-9-15(16(14)21-12)18-22(19,20)17-11-13-6-3-2-4-7-13/h2-10,17-18H,11H2,1H3
• InChIKey: DTSLZBTUIRIZAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl[(2-methyl-1-benzofuran-7-yl)amino]sulfonamide
• IUPAC Traditional name: N-benzyl[(2-methyl-1-benzofuran-7-yl)amino]sulfonamide
• Synonyms: N-benzyl-N'-(2-methyl-1-benzofuran-7-yl)sulfamide

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 2.1965663
• LogD (pH = 7.4): 2.1526275
• Log P: 2.1971645
• Molar Refractivity: 85.016 cm^3
• Polarizability: 34.73033 Å^3
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 8.307955
• H Acceptors: 3
• H Donor: 2

供应商提供(Chembridge)

• Log P: 3.31
• LOG S: -4.33
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 2