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

• ChemBase ID: 665171
• Molecular Formular: C21H24N2O3S
• Molecular Mass: 384.49186
• Monoisotopic Mass: 384.15076364
• SMILES: S(=O)(=O)(N(C1Cc2c(C1)cccc2)C)c1cc(C(=O)NC2CCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)N(C1Cc2c(C1)cccc2)C)NC1CCC1
• InChI: InChI=1S/C21H24N2O3S/c1-23(19-12-15-6-2-3-7-16(15)13-19)27(25,26)20-11-4-8-17(14-20)21(24)22-18-9-5-10-18/h2-4,6-8,11,14,18-19H,5,9-10,12-13H2,1H3,(H,22,24)
• InChIKey: PJJDOXPARDHZML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-3-[(2,3-dihydro-1H-inden-2-yl)(methyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-cyclobutyl-3-[(2,3-dihydro-1H-inden-2-yl)(methyl)sulfamoyl]benzamide
• Synonyms: N-cyclobutyl-3-{[2,3-dihydro-1H-inden-2-yl(methyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.113435
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.123868
• LogD (pH = 7.4): 3.123868
• Log P: 3.1238682
• Molar Refractivity: 106.144 cm^3
• Polarizability: 41.29819 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.72
• LOG S: -5.18
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 4