N-benzyl-2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine-1-sulfonamide

• ChemBase ID: 775441
• Molecular Formular: C18H26N4O2S
• Molecular Mass: 362.48964
• Monoisotopic Mass: 362.17764709
• SMILES: S(=O)(=O)(N1C(CCn2c(ncc2)C)CCCC1)NCc1ccccc1
• Canonical SMILES: Cc1nccn1CCC1CCCCN1S(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C18H26N4O2S/c1-16-19-11-14-21(16)13-10-18-9-5-6-12-22(18)25(23,24)20-15-17-7-3-2-4-8-17/h2-4,7-8,11,14,18,20H,5-6,9-10,12-13,15H2,1H3
• InChIKey: OGTITPKJECFOSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine-1-sulfonamide
• IUPAC Traditional name: N-benzyl-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-sulfonamide
• Synonyms: N-benzyl-2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.750285
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.39141038
• LogD (pH = 7.4): 1.1591674
• Log P: 1.404282
• Molar Refractivity: 99.2031 cm^3
• Polarizability: 39.339474 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.28
• LOG S: -2.94
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5