2-chloroprop-2-ene-1-sulfonamide

• ChemBase ID: 245828
• Molecular Formular: C3H6ClNO2S
• Molecular Mass: 155.60324
• Monoisotopic Mass: 154.98077712
• SMILES: S(=O)(=O)(CC(=C)Cl)N
• Canonical SMILES: ClC(=C)CS(=O)(=O)N
• InChI: InChI=1S/C3H6ClNO2S/c1-3(4)2-8(5,6)7/h1-2H2,(H2,5,6,7)
• InChIKey: FSXJTMMORYBFSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164301738
• PubChem CID: 19437345

CALCULATED PROPERTIES

• Acid pKa: 10.743411
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.41504958
• LogD (pH = 7.4): -0.41522184
• Log P: -0.41504738
• Molar Refractivity: 32.0696 cm^3
• Polarizability: 13.321249 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.117

Product Information

• Purity: 95%