2-(2-methoxyethoxy)ethane-1-sulfonamide

• ChemBase ID: 240605
• Molecular Formular: C5H13NO4S
• Molecular Mass: 183.22602
• Monoisotopic Mass: 183.0565289
• SMILES: S(=O)(=O)(CCOCCOC)N
• Canonical SMILES: COCCOCCS(=O)(=O)N
• InChI: InChI=1S/C5H13NO4S/c1-9-2-3-10-4-5-11(6,7)8/h2-5H2,1H3,(H2,6,7,8)
• InChIKey: CNCBDNXOSGBBRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethoxy)ethane-1-sulfonamide
• IUPAC Traditional name: 2-(2-methoxyethoxy)ethanesulfonamide
• Synonyms: 2-(2-methoxyethoxy)ethane-1-sulfonamide

Database IDs

• MDL Number: MFCD19672609
• PubChem SID: 164296515
• PubChem CID: 22491137

CALCULATED PROPERTIES

• Acid pKa: 11.075976
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4770124
• LogD (pH = 7.4): -1.4770924
• Log P: -1.4770113
• Molar Refractivity: 40.2777 cm^3
• Polarizability: 16.793497 Å^3
• Polar Surface Area: 78.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.282

Product Information

• Purity: 95%