1-{2-[(benzylsulfamoyl)amino]ethyl}imidazolidin-2-one

• ChemBase ID: 582647
• Molecular Formular: C12H18N4O3S
• Molecular Mass: 298.36132
• Monoisotopic Mass: 298.10996146
• SMILES: S(=O)(=O)(NCc1ccccc1)NCCN1C(=O)NCC1
• Canonical SMILES: O=C1NCCN1CCNS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C12H18N4O3S/c17-12-13-6-8-16(12)9-7-14-20(18,19)15-10-11-4-2-1-3-5-11/h1-5,14-15H,6-10H2,(H,13,17)
• InChIKey: KNKLWWNNAMPNTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[(benzylsulfamoyl)amino]ethyl}imidazolidin-2-one
• IUPAC Traditional name: 1-{2-[(benzylsulfamoyl)amino]ethyl}imidazolidin-2-one
• Synonyms: N-benzyl-N'-[2-(2-oxoimidazolidin-1-yl)ethyl]sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.655073
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.8553369
• LogD (pH = 7.4): -0.855548
• Log P: -0.8553342
• Molar Refractivity: 75.1423 cm^3
• Polarizability: 29.885717 Å^3
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 0.32
• LOG S: -2.96
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 5