2-(2-methoxyethoxy)benzene-1-sulfonamide

• ChemBase ID: 813317
• Molecular Formular: C9H13NO4S
• Molecular Mass: 231.26882
• Monoisotopic Mass: 231.0565289
• SMILES: c1(c(cccc1)OCCOC)S(=O)(=O)N
• Canonical SMILES: COCCOc1ccccc1S(=O)(=O)N
• InChI: InChI=1S/C9H13NO4S/c1-13-6-7-14-8-4-2-3-5-9(8)15(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12)
• InChIKey: UIYMPDRCTPYBLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethoxy)benzene-1-sulfonamide
• IUPAC Traditional name: 2-(2-methoxyethoxy)benzenesulfonamide
• Synonyms: 2-(2-METHOXYETHOXY)BENZENESULFONAMIDE

Database IDs

• CAS Number: 82031-33-2

CALCULATED PROPERTIES

• Acid pKa: 9.6896
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.37460494
• LogD (pH = 7.4): 0.3726603
• Log P: 0.37462983
• Molar Refractivity: 55.7226 cm^3
• Polarizability: 22.564926 Å^3
• Polar Surface Area: 78.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%