oxane-4-sulfonamide

• ChemBase ID: 265691
• Molecular Formular: C5H11NO3S
• Molecular Mass: 165.21074
• Monoisotopic Mass: 165.04596422
• SMILES: S(=O)(=O)(C1CCOCC1)N
• Canonical SMILES: NS(=O)(=O)C1CCOCC1
• InChI: InChI=1S/C5H11NO3S/c6-10(7,8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,6,7,8)
• InChIKey: KHNSAYUHYIAYEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxane-4-sulfonamide
• IUPAC Traditional name: oxane-4-sulfonamide
• Synonyms: oxane-4-sulfonamide

Database IDs

• MDL Number: MFCD16666231
• PubChem SID: 164321601
• PubChem CID: 54592548

CALCULATED PROPERTIES

• Acid pKa: 11.139066
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2696859
• LogD (pH = 7.4): -1.2697551
• Log P: -1.269685
• Molar Refractivity: 36.79 cm^3
• Polarizability: 15.332271 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): -1.862

Product Information

• Purity: 95%