N-{3-[(benzylsulfamoyl)amino]propyl}pyridin-3-amine

• ChemBase ID: 395194
• Molecular Formular: C15H20N4O2S
• Molecular Mass: 320.4099
• Monoisotopic Mass: 320.1306969
• SMILES: S(=O)(=O)(NCc1ccccc1)NCCCNc1cnccc1
• Canonical SMILES: O=S(=O)(NCc1ccccc1)NCCCNc1cccnc1
• InChI: InChI=1S/C15H20N4O2S/c20-22(21,19-12-14-6-2-1-3-7-14)18-11-5-10-17-15-8-4-9-16-13-15/h1-4,6-9,13,17-19H,5,10-12H2
• InChIKey: RIWWBPFPVGNBFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[(benzylsulfamoyl)amino]propyl}pyridin-3-amine
• IUPAC Traditional name: N-{3-[(benzylsulfamoyl)amino]propyl}pyridin-3-amine
• Synonyms: N-benzyl-N'-[3-(pyridin-3-ylamino)propyl]sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.996997
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.011807836
• LogD (pH = 7.4): 0.29082417
• Log P: 0.29730764
• Molar Refractivity: 88.2389 cm^3
• Polarizability: 34.366528 Å^3
• Polar Surface Area: 83.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 0.39
• LOG S: -1.87
• Polar Surface Area: 83.12 Å^2
• Rotatable Bonds: 7