ethenesulfonamide

• ChemBase ID: 276138
• Molecular Formular: C2H5NO2S
• Molecular Mass: 107.1316
• Monoisotopic Mass: 107.00409941
• SMILES: S(=O)(=O)(C=C)N
• Canonical SMILES: C=CS(=O)(=O)N
• InChI: InChI=1S/C2H5NO2S/c1-2-6(3,4)5/h2H,1H2,(H2,3,4,5)
• InChIKey: JOXWSDNHLSQKCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenesulfonamide
• IUPAC Traditional name: ethenesulfonamide
• Synonyms: ethenesulfonamide

Database IDs

• MDL Number: MFCD00051751
• PubChem SID: 164332048
• PubChem CID: 520075

CALCULATED PROPERTIES

• Acid pKa: 12.845521
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8029017
• LogD (pH = 7.4): -0.802903
• Log P: -0.8029016
• Molar Refractivity: 22.2239 cm^3
• Polarizability: 9.575006 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.049

Product Information

• Purity: 95%