N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide

• ChemBase ID: 864628
• Molecular Formular: C17H23N3O3S
• Molecular Mass: 349.44782
• Monoisotopic Mass: 349.14601261
• SMILES: c1([nH]c2c(c1CC)cccc2)C(=O)N1CCC(NS(=O)(=O)C)CC1
• Canonical SMILES: CCc1c([nH]c2c1cccc2)C(=O)N1CCC(CC1)NS(=O)(=O)C
• InChI: InChI=1S/C17H23N3O3S/c1-3-13-14-6-4-5-7-15(14)18-16(13)17(21)20-10-8-12(9-11-20)19-24(2,22)23/h4-7,12,18-19H,3,8-11H2,1-2H3
• InChIKey: GKBRIBGITKCWLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide
• IUPAC Traditional name: N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide
• Synonyms: N-{1-[(3-ethyl-1H-indol-2-yl)carbonyl]piperidin-4-yl}methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.5184
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7730541
• LogD (pH = 7.4): 0.77302533
• Log P: 0.7730546
• Molar Refractivity: 93.9626 cm^3
• Polarizability: 37.606945 Å^3
• Polar Surface Area: 82.27 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: 1.03
• LOG S: -2.63
• Polar Surface Area: 82.27 Å^2
• Rotatable Bonds: 3