2-(2,5-dioxoimidazolidin-4-yl)ethane-1-sulfonamide

• ChemBase ID: 276047
• Molecular Formular: C5H9N3O4S
• Molecular Mass: 207.20766
• Monoisotopic Mass: 207.03137678
• SMILES: N1C(=O)NC(C1=O)CCS(=O)(=O)N
• Canonical SMILES: O=C1NC(=O)C(N1)CCS(=O)(=O)N
• InChI: InChI=1S/C5H9N3O4S/c6-13(11,12)2-1-3-4(9)8-5(10)7-3/h3H,1-2H2,(H2,6,11,12)(H2,7,8,9,10)
• InChIKey: OXVMIFJNZNPIOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-4-yl)ethane-1-sulfonamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-4-yl)ethanesulfonamide
• Synonyms: 2-(2,5-dioxoimidazolidin-4-yl)ethane-1-sulfonamide

Database IDs

• MDL Number: MFCD19382020
• PubChem SID: 164331957
• PubChem CID: 226590

CALCULATED PROPERTIES

• Polarizability: 17.260805 Å^3
• Polar Surface Area: 118.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 9.619029
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.7329223
• LogD (pH = 7.4): -2.7354698
• Log P: -2.7328897
• Molar Refractivity: 41.8785 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -3.36

Product Information

• Purity: 95%