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

• ChemBase ID: 231946
• Molecular Formular: C9H12N2O4S
• Molecular Mass: 244.26758
• Monoisotopic Mass: 244.05177787
• SMILES: S(=O)(=O)(c1cc(NC(=O)C)ccc1OC)N
• Canonical SMILES: COc1ccc(cc1S(=O)(=O)N)NC(=O)C
• InChI: InChI=1S/C9H12N2O4S/c1-6(12)11-7-3-4-8(15-2)9(5-7)16(10,13)14/h3-5H,1-2H3,(H,11,12)(H2,10,13,14)
• InChIKey: ICUOXTKSXMJNCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxy-3-sulfamoylphenyl)acetamide
• IUPAC Traditional name: N-(4-methoxy-3-sulfamoylphenyl)acetamide
• Synonyms: N-(4-Methoxy-3-sulfamoyl-phenyl)-acetamide

Database IDs

• MDL Number: MFCD03983099
• PubChem SID: 164287856
• PubChem CID: 3735047

CALCULATED PROPERTIES

• Acid pKa: 9.537923
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.34071958
• LogD (pH = 7.4): -0.3434738
• Log P: -0.34068432
• Molar Refractivity: 59.5421 cm^3
• Polarizability: 23.107931 Å^3
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220 - 222°C
• Hydrophobicity(logP): -0.763

Product Information

• Purity: 95%