N-(2,3-dihydro-1H-inden-2-yl)-3-[(oxolan-3-yl)sulfamoyl]benzamide

• ChemBase ID: 770670
• Molecular Formular: C20H22N2O4S
• Molecular Mass: 386.46468
• Monoisotopic Mass: 386.13002819
• SMILES: S(=O)(=O)(NC1CCOC1)c1cc(C(=O)NC2Cc3c(C2)cccc3)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NC1COCC1)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C20H22N2O4S/c23-20(21-18-10-14-4-1-2-5-15(14)11-18)16-6-3-7-19(12-16)27(24,25)22-17-8-9-26-13-17/h1-7,12,17-18,22H,8-11,13H2,(H,21,23)
• InChIKey: BVNHGDFYYNUHBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-3-[(oxolan-3-yl)sulfamoyl]benzamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-3-[(oxolan-3-yl)sulfamoyl]benzamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-3-[(tetrahydrofuran-3-ylamino)sulfonyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.866102
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8912686
• LogD (pH = 7.4): 1.8899722
• Log P: 1.8912853
• Molar Refractivity: 103.0452 cm^3
• Polarizability: 40.168743 Å^3
• Polar Surface Area: 84.5 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: 2.1
• LOG S: -3.81
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 4