2-ethoxyethane-1-sulfonamide

• ChemBase ID: 273287
• Molecular Formular: C4H11NO3S
• Molecular Mass: 153.20004
• Monoisotopic Mass: 153.04596422
• SMILES: S(=O)(=O)(CCOCC)N
• Canonical SMILES: CCOCCS(=O)(=O)N
• InChI: InChI=1S/C4H11NO3S/c1-2-8-3-4-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)
• InChIKey: NSZHKOWJKWSPSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxyethane-1-sulfonamide
• IUPAC Traditional name: 2-ethoxyethanesulfonamide
• Synonyms: 2-ethoxyethane-1-sulfonamide

Database IDs

• MDL Number: MFCD12174703
• PubChem SID: 164329197
• PubChem CID: 22491140

CALCULATED PROPERTIES

• Acid pKa: 11.076997
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0732288
• LogD (pH = 7.4): -1.0733088
• Log P: -1.0732279
• Molar Refractivity: 33.9828 cm^3
• Polarizability: 14.217229 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 30 - 32°C
• Hydrophobicity(logP): -0.758

Product Information

• Purity: 95%