N-(2-methoxy-5-sulfamoylphenyl)acetamide

• ChemBase ID: 231944
• Molecular Formular: C9H12N2O4S
• Molecular Mass: 244.26758
• Monoisotopic Mass: 244.05177787
• SMILES: S(=O)(=O)(c1cc(NC(=O)C)c(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1NC(=O)C)S(=O)(=O)N
• InChI: InChI=1S/C9H12N2O4S/c1-6(12)11-8-5-7(16(10,13)14)3-4-9(8)15-2/h3-5H,1-2H3,(H,11,12)(H2,10,13,14)
• InChIKey: CIPIFLDLSCTFIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxy-5-sulfamoylphenyl)acetamide
• IUPAC Traditional name: N-(2-methoxy-5-sulfamoylphenyl)acetamide
• Synonyms: N-(2-Methoxy-5-sulfamoyl-phenyl)-acetamide

Database IDs

• CAS Number: 85605-29-4
• MDL Number: MFCD03986053
• PubChem SID: 164287854
• PubChem CID: 2990677

CALCULATED PROPERTIES

• Acid pKa: 10.364331
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.34068957
• LogD (pH = 7.4): -0.34110212
• Log P: -0.34068432
• Molar Refractivity: 59.5421 cm^3
• Polarizability: 23.106628 Å^3
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 217 - 219°C
• Hydrophobicity(logP): -0.873

Product Information

• Purity: 95%