N-(2,3-dihydro-1H-inden-2-yl)-4-(propylsulfamoyl)benzamide

• ChemBase ID: 573055
• Molecular Formular: C19H22N2O3S
• Molecular Mass: 358.45458
• Monoisotopic Mass: 358.13511357
• SMILES: S(=O)(=O)(c1ccc(C(=O)NC2Cc3c(C2)cccc3)cc1)NCCC
• Canonical SMILES: CCCNS(=O)(=O)c1ccc(cc1)C(=O)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C19H22N2O3S/c1-2-11-20-25(23,24)18-9-7-14(8-10-18)19(22)21-17-12-15-5-3-4-6-16(15)13-17/h3-10,17,20H,2,11-13H2,1H3,(H,21,22)
• InChIKey: FPAFEBKRLIGYQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-4-(propylsulfamoyl)benzamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-4-(propylsulfamoyl)benzamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-4-[(propylamino)sulfonyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.897936
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.8693738
• LogD (pH = 7.4): 2.8681688
• Log P: 2.8693893
• Molar Refractivity: 98.7077 cm^3
• Polarizability: 38.34521 Å^3
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.44
• LOG S: -4.75
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 5