N-benzyl{[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]amino}sulfonamide

• ChemBase ID: 326284
• Molecular Formular: C17H18N4O4S
• Molecular Mass: 374.41422
• Monoisotopic Mass: 374.10487608
• SMILES: N1(C(=O)N(CC1=O)C)c1cc(NS(=O)(=O)NCc2ccccc2)ccc1
• Canonical SMILES: CN1CC(=O)N(C1=O)c1cccc(c1)NS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C17H18N4O4S/c1-20-12-16(22)21(17(20)23)15-9-5-8-14(10-15)19-26(24,25)18-11-13-6-3-2-4-7-13/h2-10,18-19H,11-12H2,1H3
• InChIKey: IHUYMXBWJVOSCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl{[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]amino}sulfonamide
• IUPAC Traditional name: N-benzyl{[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]amino}sulfonamide
• Synonyms: N-benzyl-N'-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.133135
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.5203151
• LogD (pH = 7.4): 0.5196134
• Log P: 0.52032405
• Molar Refractivity: 95.5843 cm^3
• Polarizability: 37.67511 Å^3
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.58
• LOG S: -2.42
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 4