N-methyl-N-{2-[4-(piperidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]ethyl}benzenesulfonamide

• ChemBase ID: 538859
• Molecular Formular: C17H23N5O3S
• Molecular Mass: 377.46122
• Monoisotopic Mass: 377.15216062
• SMILES: S(=O)(=O)(N(CCn1nnc(C(=O)N2CCCCC2)c1)C)c1ccccc1
• Canonical SMILES: O=C(c1nnn(c1)CCN(S(=O)(=O)c1ccccc1)C)N1CCCCC1
• InChI: InChI=1S/C17H23N5O3S/c1-20(26(24,25)15-8-4-2-5-9-15)12-13-22-14-16(18-19-22)17(23)21-10-6-3-7-11-21/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3
• InChIKey: XACJBSDPUNHHJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{2-[4-(piperidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]ethyl}benzenesulfonamide
• IUPAC Traditional name: N-methyl-N-{2-[4-(piperidine-1-carbonyl)-1,2,3-triazol-1-yl]ethyl}benzenesulfonamide
• Synonyms: N-methyl-N-{2-[4-(1-piperidinylcarbonyl)-1H-1,2,3-triazol-1-yl]ethyl}benzenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4095426
• LogD (pH = 7.4): 1.4095427
• Log P: 1.4095427
• Molar Refractivity: 110.0005 cm^3
• Polarizability: 38.038204 Å^3
• Polar Surface Area: 88.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.19
• LOG S: -2.5
• Polar Surface Area: 88.4 Å^2
• Rotatable Bonds: 5