N-(2-methyl-1-benzofuran-7-yl)-4-[(propan-2-yl)sulfamoyl]benzamide

• ChemBase ID: 510589
• Molecular Formular: C19H20N2O4S
• Molecular Mass: 372.4381
• Monoisotopic Mass: 372.11437813
• SMILES: S(=O)(=O)(NC(C)C)c1ccc(C(=O)Nc2c3oc(cc3ccc2)C)cc1
• Canonical SMILES: CC(NS(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc2c1oc(c2)C)C
• InChI: InChI=1S/C19H20N2O4S/c1-12(2)21-26(23,24)16-9-7-14(8-10-16)19(22)20-17-6-4-5-15-11-13(3)25-18(15)17/h4-12,21H,1-3H3,(H,20,22)
• InChIKey: QGGATHLNCQDEKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methyl-1-benzofuran-7-yl)-4-[(propan-2-yl)sulfamoyl]benzamide
• IUPAC Traditional name: 4-(isopropylsulfamoyl)-N-(2-methyl-1-benzofuran-7-yl)benzamide
• Synonyms: 4-[(isopropylamino)sulfonyl]-N-(2-methyl-1-benzofuran-7-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.766539
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.0268843
• LogD (pH = 7.4): 3.0252492
• Log P: 3.026905
• Molar Refractivity: 101.8043 cm^3
• Polarizability: 39.873554 Å^3
• Polar Surface Area: 88.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.62
• LOG S: -5.01
• Polar Surface Area: 88.41 Å^2
• Rotatable Bonds: 4