N-benzyl[(1-oxo-2,3,4,9-tetrahydro-1H-carbazol-7-yl)amino]sulfonamide

• ChemBase ID: 443624
• Molecular Formular: C19H19N3O3S
• Molecular Mass: 369.43746
• Monoisotopic Mass: 369.11471248
• SMILES: c12[nH]c3c(c1CCCC2=O)ccc(NS(=O)(=O)NCc1ccccc1)c3
• Canonical SMILES: O=C1CCCc2c1[nH]c1c2ccc(c1)NS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C19H19N3O3S/c23-18-8-4-7-16-15-10-9-14(11-17(15)21-19(16)18)22-26(24,25)20-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,20-22H,4,7-8,12H2
• InChIKey: VJUKNNNJAFZPCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl[(1-oxo-2,3,4,9-tetrahydro-1H-carbazol-7-yl)amino]sulfonamide
• IUPAC Traditional name: N-benzyl[(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)amino]sulfonamide
• Synonyms: N-benzyl-N'-(1-oxo-2,3,4,9-tetrahydro-1H-carbazol-7-yl)sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.160947
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.1651134
• LogD (pH = 7.4): 2.1644552
• Log P: 2.1651218
• Molar Refractivity: 100.2579 cm^3
• Polarizability: 40.48395 Å^3
• Polar Surface Area: 91.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.35
• LOG S: -3.9
• Polar Surface Area: 91.06 Å^2
• Rotatable Bonds: 3