N-{2-[(benzylsulfamoyl)amino]ethyl}-3-methylpyridin-2-amine

• ChemBase ID: 857603
• Molecular Formular: C15H20N4O2S
• Molecular Mass: 320.4099
• Monoisotopic Mass: 320.1306969
• SMILES: S(=O)(=O)(NCc1ccccc1)NCCNc1ncccc1C
• Canonical SMILES: Cc1cccnc1NCCNS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C15H20N4O2S/c1-13-6-5-9-16-15(13)17-10-11-18-22(20,21)19-12-14-7-3-2-4-8-14/h2-9,18-19H,10-12H2,1H3,(H,16,17)
• InChIKey: IRVDOGISOMOJSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(benzylsulfamoyl)amino]ethyl}-3-methylpyridin-2-amine
• IUPAC Traditional name: N-{2-[(benzylsulfamoyl)amino]ethyl}-3-methylpyridin-2-amine
• Synonyms: N-benzyl-N'-{2-[(3-methylpyridin-2-yl)amino]ethyl}sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.749674
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.09250999
• LogD (pH = 7.4): 1.1746769
• Log P: 1.3452268
• Molar Refractivity: 88.7282 cm^3
• Polarizability: 34.290447 Å^3
• Polar Surface Area: 83.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.96
• LOG S: -3.21
• Polar Surface Area: 83.12 Å^2
• Rotatable Bonds: 6