N-methyl-N-(4-sulfamoylphenyl)acetamide

• ChemBase ID: 279613
• Molecular Formular: C9H12N2O3S
• Molecular Mass: 228.26818
• Monoisotopic Mass: 228.05686325
• SMILES: S(=O)(=O)(c1ccc(N(C(=O)C)C)cc1)N
• Canonical SMILES: CC(=O)N(c1ccc(cc1)S(=O)(=O)N)C
• InChI: InChI=1S/C9H12N2O3S/c1-7(12)11(2)8-3-5-9(6-4-8)15(10,13)14/h3-6H,1-2H3,(H2,10,13,14)
• InChIKey: BGLJCBCOHZNHMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(4-sulfamoylphenyl)acetamide
• IUPAC Traditional name: N-methyl-N-(4-sulfamoylphenyl)acetamide
• Synonyms: N-methyl-N-(4-sulfamoylphenyl)acetamide

Database IDs

• MDL Number: MFCD12794729
• PubChem SID: 164335523
• PubChem CID: 14612855

CALCULATED PROPERTIES

• Acid pKa: 10.261661
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.31895363
• LogD (pH = 7.4): -0.31947568
• Log P: -0.318947
• Molar Refractivity: 56.1948 cm^3
• Polarizability: 22.37784 Å^3
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153 - 155°C
• Hydrophobicity(logP): -0.73

Product Information

• Purity: 95%