(benzylsulfamoyl)(ethyl)(pyridin-4-ylmethyl)amine

• ChemBase ID: 855708
• Molecular Formular: C15H19N3O2S
• Molecular Mass: 305.39526
• Monoisotopic Mass: 305.11979786
• SMILES: S(=O)(=O)(N(Cc1ccncc1)CC)NCc1ccccc1
• Canonical SMILES: CCN(S(=O)(=O)NCc1ccccc1)Cc1ccncc1
• InChI: InChI=1S/C15H19N3O2S/c1-2-18(13-15-8-10-16-11-9-15)21(19,20)17-12-14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3
• InChIKey: STLIWPMILIJFHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (benzylsulfamoyl)(ethyl)(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: (benzylsulfamoyl)(ethyl)(pyridin-4-ylmethyl)amine
• Synonyms: N'-benzyl-N-ethyl-N-(pyridin-4-ylmethyl)sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.841712
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1584984
• LogD (pH = 7.4): 1.2660524
• Log P: 1.267806
• Molar Refractivity: 83.3486 cm^3
• Polarizability: 33.217754 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.42
• LOG S: -1.34
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 5