prop-2-ene-1-sulfonamide

• ChemBase ID: 244493
• Molecular Formular: C3H7NO2S
• Molecular Mass: 121.15818
• Monoisotopic Mass: 121.01974947
• SMILES: S(=O)(=O)(N)CC=C
• Canonical SMILES: C=CCS(=O)(=O)N
• InChI: InChI=1S/C3H7NO2S/c1-2-3-7(4,5)6/h2H,1,3H2,(H2,4,5,6)
• InChIKey: UNYWISZSMFIKJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-2-ene-1-sulfonamide
• IUPAC Traditional name: prop-2-ene-1-sulfonamide
• Synonyms: prop-2-ene-1-sulfonamide

Database IDs

• MDL Number: MFCD19597828
• PubChem SID: 164300403
• PubChem CID: 14028213

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -0.6518105
• LogD (pH = 7.4): -0.6518161
• Log P: -0.65181047
• Molar Refractivity: 27.3534 cm^3
• Polarizability: 11.390625 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 12.234273
• H Acceptors: 2

PROPERTIES

Physical Property

• Melting Point: 31 - 33°C
• Hydrophobicity(logP): -0.72

Product Information

• Purity: 95%