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

• ChemBase ID: 617538
• Molecular Formular: C16H23N5O2S
• Molecular Mass: 349.45112
• Monoisotopic Mass: 349.157246
• SMILES: S(=O)(=O)(N1CCC(c2n(ccn2)Cc2ncccc2)CC1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCC(CC1)c1nccn1Cc1ccccn1)C
• InChI: InChI=1S/C16H23N5O2S/c1-19(2)24(22,23)21-10-6-14(7-11-21)16-18-9-12-20(16)13-15-5-3-4-8-17-15/h3-5,8-9,12,14H,6-7,10-11,13H2,1-2H3
• InChIKey: FZDNFMJLYVKRPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.7644968
• LogD (pH = 7.4): -0.039253965
• Log P: -0.010354125
• Molar Refractivity: 92.4503 cm^3
• Polarizability: 36.616913 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.01
• LOG S: -0.9
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 3