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

• ChemBase ID: 692025
• Molecular Formular: C15H22N6O2S
• Molecular Mass: 350.43918
• Monoisotopic Mass: 350.15249497
• SMILES: S(=O)(=O)(N1CCN(Cc2nnn(c2)c2ccccc2)CC1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCN(CC1)Cc1nnn(c1)c1ccccc1)C
• InChI: InChI=1S/C15H22N6O2S/c1-18(2)24(22,23)20-10-8-19(9-11-20)12-14-13-21(17-16-14)15-6-4-3-5-7-15/h3-7,13H,8-12H2,1-2H3
• InChIKey: NMPZLMIESHBARH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.21473831
• LogD (pH = 7.4): 0.26078776
• Log P: 0.26140758
• Molar Refractivity: 93.2876 cm^3
• Polarizability: 37.059555 Å^3
• Polar Surface Area: 74.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.43
• LOG S: -1.69
• Polar Surface Area: 74.57 Å^2
• Rotatable Bonds: 3