Description

Methyl 4-(methylsulfonamidomethyl)-2-sulfamoylbenzoate (CAS No. 393509-80-3) is a high-purity sulfonamide derivative with the molecular formula C₁₀H₁₄N₂O₆S₂. This compound features a benzoate ester core functionalized with both methylsulfonamidomethyl and sulfamoyl groups, making it a versatile intermediate for pharmaceutical and biochemical research. Its IUPAC name, methyl 4-(methanesulfonamidomethyl)-2-sulfamoylbenzoate, reflects its precise structural configuration. Ideal for medicinal chemistry applications, this reagent is supplied with comprehensive analytical data including ¹H NMR, ¹³C NMR, and HPLC-MS to ensure quality and reproducibility. Store in a cool, dry environment under inert conditions to maintain stability.

Properties

• CAS Number: 393509-80-3
• Complexity: 545
• IUPAC Name: methyl 4-(methanesulfonamidomethyl)-2-sulfamoyl-benzoate
• InChI: InChI=1S/C10H14N2O6S2/c1-18-10(13)8-4-3-7(6-12-19(2,14)15)5-9(8)20(11,16)17/h3-5,12H,6H2,1-2H3,(H2,11,16,17)
• InChI Key: PKRVNZBYNHOGDO-UHFFFAOYSA-N
• Exact Mass: 322.02932852
• Molecular Formula: C10H14N2O6S2
• Molecular Weight: 322.4
• SMILES: COC(=O)C1=C(C=C(C=C1)CNS(=O)(=O)C)S(=O)(=O)N
• Topological: 149
• Monoisotopic Mass: 322.02932852
• Synonyms: 393509-80-3, methyl 4-(methylsulfonamidomethyl)-2-sulfamoylbenzoate, Methyl-2-(aminosulfonyl)-4-[[(methylsulfonyl)amino]methyl]-benzoate, methyl 4-(methanesulfonamidomethyl)-2-sulfamoylbenzoate, SCHEMBL5412365, PKRVNZBYNHOGDO-UHFFFAOYSA-N, DTXSID601028625, Ester Sulfonamide (AE F140584), DB-211339, NS00067550, methyl 2-sulfamoyl-4-methanesulfonylaminomethylbenzoate, methyl 2-sulfamoyl4-methanesulfonylaminomethylbenzoate, 2-(Aminosulfonyl)-4-[[(methylsulfonyl)amino]methyl]benzoic acid methyl ester

Application

Methyl 4-(methylsulfonamidomethyl)-2-sulfamoylbenzoate is primarily employed as a key synthetic intermediate in the development of sulfonamide-based therapeutics, including enzyme inhibitors and antimicrobial agents. Its dual sulfonamide functionality enables selective modulation of biological targets, particularly in carbonic anhydrase and protease research. Researchers also utilize this compound for structure-activity relationship (SAR) studies due to its modular reactivity. Suitable for organic synthesis, it may serve as a precursor for labeled analogs in pharmacokinetic assays.

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.