N,N-dimethyl-4-sulfamoylbenzamide

• ChemBase ID: 248579
• Molecular Formular: C9H12N2O3S
• Molecular Mass: 228.26818
• Monoisotopic Mass: 228.05686325
• SMILES: S(=O)(=O)(c1ccc(C(=O)N(C)C)cc1)N
• Canonical SMILES: CN(C(=O)c1ccc(cc1)S(=O)(=O)N)C
• InChI: InChI=1S/C9H12N2O3S/c1-11(2)9(12)7-3-5-8(6-4-7)15(10,13)14/h3-6H,1-2H3,(H2,10,13,14)
• InChIKey: PATCOXOSYWGZRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-sulfamoylbenzamide
• IUPAC Traditional name: N,N-dimethyl-4-sulfamoylbenzamide
• Synonyms: N,N-dimethyl-4-sulfamoylbenzamide

Database IDs

• MDL Number: MFCD11104011
• PubChem SID: 164304489
• PubChem CID: 10353728

CALCULATED PROPERTIES

• Acid pKa: 9.946292
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.122744896
• LogD (pH = 7.4): -0.12382298
• Log P: -0.122730985
• Molar Refractivity: 57.0877 cm^3
• Polarizability: 22.183079 Å^3
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 206 - 208°C
• Hydrophobicity(logP): -0.687

Product Information

• Purity: 95%