10252-63-8 | 4-[(Methylamino)sulfonyl]benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$21.00	$15.00
250mg	95%	in stock	$32.00	$22.00
1g	95%	in stock	$96.00	$68.00
5g	95%	in stock	$336.00	$236.00

Description

• Catalog Number: AA09726
• Chemical Name: 4-[(Methylamino)sulfonyl]benzoic acid
• CAS Number: 10252-63-8
• Molecular Formula: C8H9NO4S
• Molecular Weight: 215.2264
• MDL Number: MFCD05804382
• SMILES: CNS(=O)(=O)c1ccc(cc1)C(=O)O

Computed Properties

• Complexity: 298
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 3
• XLogP3: 0.8

Upstream Synthesis Route

4-(N-Methylsulfamoyl)benzoic acid is a versatile compound that finds wide application in chemical synthesis. As a sulfonamide derivative of benzoic acid, this compound serves as a crucial building block in the synthesis of various pharmaceuticals, agrochemicals, and specialty organic compounds. Its unique structure and functional groups make it a valuable intermediate in the creation of complex molecules with diverse biological activities. In chemical synthesis, 4-(N-Methylsulfamoyl)benzoic acid is commonly used as a key starting material for the development of novel drugs, such as anti-inflammatory agents, antimicrobials, and antivirals. Additionally, its presence in the synthesis of herbicides and insecticides highlights its significance in the agricultural industry. With its ability to participate in a range of reactions, including amide formation, nucleophilic substitutions, and aromatic ring modifications, this compound plays a vital role in the creation of potent bioactive compounds with targeted functions.

Literature

• Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design.

  Journal of medicinal chemistry 19971205