N-ethylethane-1-sulfonamide

• ChemBase ID: 798963
• Molecular Formular: C4H11NO2S
• Molecular Mass: 137.20064
• Monoisotopic Mass: 137.0510496
• SMILES: S(=O)(=O)(NCC)CC
• Canonical SMILES: CCNS(=O)(=O)CC
• InChI: InChI=1S/C4H11NO2S/c1-3-5-8(6,7)4-2/h5H,3-4H2,1-2H3
• InChIKey: SQBCGUPFPORBQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylethane-1-sulfonamide
• IUPAC Traditional name: N-ethylethanesulfonamide
• Synonyms: diethylsulfonamide

CALCULATED PROPERTIES

• Acid pKa: 12.883031
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.44576833
• LogD (pH = 7.4): -0.44576958
• Log P: -0.44576833
• Molar Refractivity: 32.5846 cm^3
• Polarizability: 13.4633255 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%