4-(2-oxo-1,3-oxazolidin-3-yl)benzene-1-sulfonamide

• ChemBase ID: 278777
• Molecular Formular: C9H10N2O4S
• Molecular Mass: 242.2517
• Monoisotopic Mass: 242.03612781
• SMILES: NS(=O)(=O)c1ccc(cc1)N1CCOC1=O
• Canonical SMILES: O=C1OCCN1c1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C9H10N2O4S/c10-16(13,14)8-3-1-7(2-4-8)11-5-6-15-9(11)12/h1-4H,5-6H2,(H2,10,13,14)
• InChIKey: CUVOZPOKWDMKTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-oxo-1,3-oxazolidin-3-yl)benzene-1-sulfonamide
• IUPAC Traditional name: 4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
• Synonyms: 4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide

Database IDs

• MDL Number: MFCD03068960
• PubChem SID: 164334687
• PubChem CID: 11837254

CALCULATED PROPERTIES

• Acid pKa: 10.183307
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.12881123
• LogD (pH = 7.4): 0.12818608
• Log P: 0.12881921
• Molar Refractivity: 55.8494 cm^3
• Polarizability: 22.413124 Å^3
• Polar Surface Area: 89.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.694

Product Information

• Purity: 95%