2-methoxyethane-1-sulfonamide

• ChemBase ID: 273558
• Molecular Formular: C3H9NO3S
• Molecular Mass: 139.17346
• Monoisotopic Mass: 139.03031415
• SMILES: S(=O)(=O)(CCOC)N
• Canonical SMILES: COCCS(=O)(=O)N
• InChI: InChI=1S/C3H9NO3S/c1-7-2-3-8(4,5)6/h2-3H2,1H3,(H2,4,5,6)
• InChIKey: CLPQSNXTFZZLHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyethane-1-sulfonamide
• IUPAC Traditional name: 2-methoxyethanesulfonamide
• Synonyms: 2-methoxyethane-1-sulfonamide

Database IDs

• MDL Number: MFCD12174704
• PubChem SID: 164329468
• PubChem CID: 18951506

CALCULATED PROPERTIES

• Acid pKa: 11.079885
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4300368
• LogD (pH = 7.4): -1.4301162
• Log P: -1.4300358
• Molar Refractivity: 29.2342 cm^3
• Polarizability: 12.406622 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.147

Product Information

• Purity: 95%