3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzene-1-sulfonamide

• ChemBase ID: 269104
• Molecular Formular: C10H11N3O4S
• Molecular Mass: 269.27704
• Monoisotopic Mass: 269.04702685
• SMILES: S(=O)(=O)(c1cc(C2(C(=O)NC(=O)N2)C)ccc1)N
• Canonical SMILES: O=C1NC(=O)C(N1)(C)c1cccc(c1)S(=O)(=O)N
• InChI: InChI=1S/C10H11N3O4S/c1-10(8(14)12-9(15)13-10)6-3-2-4-7(5-6)18(11,16)17/h2-5H,1H3,(H2,11,16,17)(H2,12,13,14,15)
• InChIKey: HLARBKYKVSVLBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzene-1-sulfonamide
• IUPAC Traditional name: 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide
• Synonyms: 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzene-1-sulfonamide

Database IDs

• MDL Number: MFCD17167126
• PubChem SID: 164325014
• PubChem CID: 50987606

CALCULATED PROPERTIES

• Acid pKa: 9.556378
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.47503114
• LogD (pH = 7.4): -0.47790554
• Log P: -0.47499442
• Molar Refractivity: 62.2752 cm^3
• Polarizability: 24.803528 Å^3
• Polar Surface Area: 118.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.791

Product Information

• Purity: 95%