oxolane-3-sulfonamide

• ChemBase ID: 274104
• Molecular Formular: C4H9NO3S
• Molecular Mass: 151.18416
• Monoisotopic Mass: 151.03031415
• SMILES: S(=O)(=O)(C1CCOC1)N
• Canonical SMILES: NS(=O)(=O)C1COCC1
• InChI: InChI=1S/C4H9NO3S/c5-9(6,7)4-1-2-8-3-4/h4H,1-3H2,(H2,5,6,7)
• InChIKey: GMAXVRALICXRLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolane-3-sulfonamide
• IUPAC Traditional name: oxolane-3-sulfonamide
• Synonyms: oxolane-3-sulfonamide

Database IDs

• MDL Number: MFCD18333914
• PubChem SID: 164330014
• PubChem CID: 54593029

CALCULATED PROPERTIES

• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 10.894714
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3296462
• LogD (pH = 7.4): -1.3297678
• Log P: -1.3296447
• Molar Refractivity: 31.9246 cm^3
• Polarizability: 13.520257 Å^3

PROPERTIES

Physical Property

• Melting Point: 85 - 87°C
• Hydrophobicity(logP): -1.343

Product Information

• Purity: 95%