N-methyl-4-sulfamoylbenzamide

• ChemBase ID: 253392
• Molecular Formular: C8H10N2O3S
• Molecular Mass: 214.2416
• Monoisotopic Mass: 214.04121319
• SMILES: S(=O)(=O)(c1ccc(C(=O)NC)cc1)N
• Canonical SMILES: CNC(=O)c1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C8H10N2O3S/c1-10-8(11)6-2-4-7(5-3-6)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)
• InChIKey: CTDFBRMMEMHBEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-sulfamoylbenzamide
• IUPAC Traditional name: 4-sulfamylbenzamide,N-methyl
• Synonyms: N-methyl-4-sulfamoylbenzamide

Database IDs

• MDL Number: MFCD11204530
• PubChem SID: 164309302
• PubChem CID: 4093508

CALCULATED PROPERTIES

• Acid pKa: 9.95219
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.3464207
• LogD (pH = 7.4): -0.34748435
• Log P: -0.34640706
• Molar Refractivity: 52.191 cm^3
• Polarizability: 20.358122 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.442

Product Information

• Purity: 95%