(benzylsulfamoyl)[2-(pyridin-3-yloxy)propyl]amine

• ChemBase ID: 318431
• Molecular Formular: C15H19N3O3S
• Molecular Mass: 321.39466
• Monoisotopic Mass: 321.11471248
• SMILES: S(=O)(=O)(NCC(Oc1cnccc1)C)NCc1ccccc1
• Canonical SMILES: CC(Oc1cccnc1)CNS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C15H19N3O3S/c1-13(21-15-8-5-9-16-12-15)10-17-22(19,20)18-11-14-6-3-2-4-7-14/h2-9,12-13,17-18H,10-11H2,1H3
• InChIKey: VFSXMXJVJXUKGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (benzylsulfamoyl)[2-(pyridin-3-yloxy)propyl]amine
• IUPAC Traditional name: (benzylsulfamoyl)[2-(pyridin-3-yloxy)propyl]amine
• Synonyms: N-benzyl-N'-[2-(pyridin-3-yloxy)propyl]sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.025829
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.9556552
• LogD (pH = 7.4): 1.0216229
• Log P: 1.0234735
• Molar Refractivity: 84.0617 cm^3
• Polarizability: 33.910084 Å^3
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.85
• LOG S: -3.12
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 6