N,N-dimethyl-4-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]piperidine-1-sulfonamide

• ChemBase ID: 524824
• Molecular Formular: C16H23N5O2S
• Molecular Mass: 349.45112
• Monoisotopic Mass: 349.157246
• SMILES: S(=O)(=O)(N1CCC(Cn2nnc(c2)c2ccccc2)CC1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCC(CC1)Cn1nnc(c1)c1ccccc1)C
• InChI: InChI=1S/C16H23N5O2S/c1-19(2)24(22,23)21-10-8-14(9-11-21)12-20-13-16(17-18-20)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3
• InChIKey: YIZMMLJGNJMHHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]piperidine-1-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-4-[(4-phenyl-1,2,3-triazol-1-yl)methyl]piperidine-1-sulfonamide
• Synonyms: N,N-dimethyl-4-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]-1-piperidinesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2539412
• LogD (pH = 7.4): 1.2539434
• Log P: 1.2539434
• Molar Refractivity: 104.792 cm^3
• Polarizability: 37.971035 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: 6
• H Donor: 0
• Log P: 1.15
• LOG S: -2.73
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 3