N-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)cyclohexanamine

• ChemBase ID: 589824
• Molecular Formular: C19H25N3O2S
• Molecular Mass: 359.4857
• Monoisotopic Mass: 359.16674806
• SMILES: S(=O)(=O)(N(Cc1ncccc1)C1CCCCC1)NCc1ccccc1
• Canonical SMILES: O=S(=O)(N(C1CCCCC1)Cc1ccccn1)NCc1ccccc1
• InChI: InChI=1S/C19H25N3O2S/c23-25(24,21-15-17-9-3-1-4-10-17)22(19-12-5-2-6-13-19)16-18-11-7-8-14-20-18/h1,3-4,7-11,14,19,21H,2,5-6,12-13,15-16H2
• InChIKey: XKOVMKQBERKBOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)cyclohexanamine
• IUPAC Traditional name: N-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)cyclohexanamine
• Synonyms: N'-benzyl-N-cyclohexyl-N-(pyridin-2-ylmethyl)sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.48907
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7750864
• LogD (pH = 7.4): 2.7912133
• Log P: 2.7917404
• Molar Refractivity: 99.092 cm^3
• Polarizability: 39.856647 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: 2.95
• LOG S: -3.04
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 5