(benzylsulfamoyl)[1-(pyrazin-2-yl)propan-2-yl]amine

• ChemBase ID: 701753
• Molecular Formular: C14H18N4O2S
• Molecular Mass: 306.38332
• Monoisotopic Mass: 306.11504684
• SMILES: S(=O)(=O)(NC(Cc1nccnc1)C)NCc1ccccc1
• Canonical SMILES: CC(NS(=O)(=O)NCc1ccccc1)Cc1cnccn1
• InChI: InChI=1S/C14H18N4O2S/c1-12(9-14-11-15-7-8-16-14)18-21(19,20)17-10-13-5-3-2-4-6-13/h2-8,11-12,17-18H,9-10H2,1H3
• InChIKey: ZXVDLJFONSCGAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (benzylsulfamoyl)[1-(pyrazin-2-yl)propan-2-yl]amine
• IUPAC Traditional name: (benzylsulfamoyl)[1-(pyrazin-2-yl)propan-2-yl]amine
• Synonyms: N-benzyl-N'-(1-methyl-2-pyrazin-2-ylethyl)sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.751734
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.20470276
• LogD (pH = 7.4): 0.20453805
• Log P: 0.20470925
• Molar Refractivity: 80.1424 cm^3
• Polarizability: 32.33554 Å^3
• Polar Surface Area: 83.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.69
• LOG S: -2.02
• Polar Surface Area: 83.98 Å^2
• Rotatable Bonds: 5