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3-Methyl-2-(methylsulfonamido)benzoic acid

  • CAS No. 926206-21-5

  • Cat. No. CS-0186841
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

3-Methyl-2-(methylsulfonamido)benzoic acid|CS-0186841

Structure of 926206-21-5

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General Information

  • CAS No. 926206-21-5
  • Cat. No. CS-0186841
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₄S
  • Molecular Weight 229.25
  • Synonym(s) 2-MethanesulfonaMido-3-Methylbenzoic acid
  • SMILES CC1=C(C(=CC=C1)C(=O)O)NS(=O)(=O)C

Description

3-Methyl-2-(methylsulfonamido)benzoic acid features a benzene ring bearing a methyl group, a sulfonamide moiety, and a carboxylic acid functional group in ortho relationship. This arrangement imparts distinct polarity and hydrogen-bonding capacity, enabling integration into bioactive scaffolds. The molecule exhibits bench-stable handling characteristics and serves as a key intermediate for medicinal chemistry campaigns targeting kinase inhibitors and enzyme modulators.

Application

3-Methyl-2-(methylsulfonamido)benzoic acid serves as a versatile building block for medicinal chemistry and API synthesis, offering a readily functionalized aromatic core with orthogonal reactivity. The carboxylic acid group enables amide coupling and esterification, while the methylsulfonamido moiety provides a polar, hydrogen-bonding handle compatible with diverse downstream transformations. Bench-stable and amenable to standard purification methods, it facilitates efficient access to bioactive heterocycles and drug candidates through established synthetic protocols.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

  • TPSA   83.47
  • LogP   1.06472
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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