4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-6-ylmethyl)piperidine-1-sulfonamide

• ChemBase ID: 602262
• Molecular Formular: C19H27N3O3S
• Molecular Mass: 377.50098
• Monoisotopic Mass: 377.17731274
• SMILES: S(=O)(=O)(N1CCC(CC1)OC)NCc1cc2c3c([nH]c2cc1)CCCC3
• Canonical SMILES: COC1CCN(CC1)S(=O)(=O)NCc1ccc2c(c1)c1CCCCc1[nH]2
• InChI: InChI=1S/C19H27N3O3S/c1-25-15-8-10-22(11-9-15)26(23,24)20-13-14-6-7-19-17(12-14)16-4-2-3-5-18(16)21-19/h6-7,12,15,20-21H,2-5,8-11,13H2,1H3
• InChIKey: NAPSRRFHXVGCSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-6-ylmethyl)piperidine-1-sulfonamide
• IUPAC Traditional name: 4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)piperidine-1-sulfonamide
• Synonyms: 4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-6-ylmethyl)piperidine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.919508
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6804917
• LogD (pH = 7.4): 1.680377
• Log P: 1.6804934
• Molar Refractivity: 103.22 cm^3
• Polarizability: 41.69185 Å^3
• Polar Surface Area: 74.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.18
• LOG S: -3.81
• Polar Surface Area: 74.43 Å^2
• Rotatable Bonds: 3