N,N-diethyl-4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]piperidine-1-sulfonamide

• ChemBase ID: 789036
• Molecular Formular: C18H27N5O2S
• Molecular Mass: 377.50428
• Monoisotopic Mass: 377.18854613
• SMILES: S(=O)(=O)(N1CCC(c2n(ccn2)Cc2ncccc2)CC1)N(CC)CC
• Canonical SMILES: CCN(S(=O)(=O)N1CCC(CC1)c1nccn1Cc1ccccn1)CC
• InChI: InChI=1S/C18H27N5O2S/c1-3-22(4-2)26(24,25)23-12-8-16(9-13-23)18-20-11-14-21(18)15-17-7-5-6-10-19-17/h5-7,10-11,14,16H,3-4,8-9,12-13,15H2,1-2H3
• InChIKey: SHXOEWWUPOXQOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]piperidine-1-sulfonamide
• IUPAC Traditional name: N,N-diethyl-4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-sulfonamide
• Synonyms: N,N-diethyl-4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]piperidine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.05088043
• LogD (pH = 7.4): 0.67436194
• Log P: 0.7032618
• Molar Refractivity: 101.9475 cm^3
• Polarizability: 40.29104 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.05
• LOG S: -2.0
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 5