N-(4-ethoxy-3-sulfamoylphenyl)acetamide

• ChemBase ID: 255817
• Molecular Formular: C10H14N2O4S
• Molecular Mass: 258.29416
• Monoisotopic Mass: 258.06742794
• SMILES: S(=O)(=O)(c1cc(NC(=O)C)ccc1OCC)N
• Canonical SMILES: CCOc1ccc(cc1S(=O)(=O)N)NC(=O)C
• InChI: InChI=1S/C10H14N2O4S/c1-3-16-9-5-4-8(12-7(2)13)6-10(9)17(11,14)15/h4-6H,3H2,1-2H3,(H,12,13)(H2,11,14,15)
• InChIKey: INDQEZFRSJGZAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-ethoxy-3-sulfamoylphenyl)acetamide
• IUPAC Traditional name: N-(4-ethoxy-3-sulfamoylphenyl)acetamide
• Synonyms: N-[3-(aminosulfonyl)-4-ethoxyphenyl]acetamide

Database IDs

• MDL Number: MFCD09731248
• PubChem SID: 164311727
• PubChem CID: 16784508

CALCULATED PROPERTIES

• Acid pKa: 9.531706
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.016087877
• LogD (pH = 7.4): 0.013294127
• Log P: 0.016123641
• Molar Refractivity: 64.2907 cm^3
• Polarizability: 24.93155 Å^3
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 187 - 189°C
• Hydrophobicity(logP): -0.234

Product Information

• Purity: 95%