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CS-W001157 4
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4-Methyl-3-sulfamoylbenzoic acid

  • CAS No. 20532-05-2

  • Cat. No. CS-0308982
  • Purity≥97%
  • MDL No.MFCD00464304

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

4-Methyl-3-sulfamoylbenzoic acid|CS-0308982

Structure of 20532-05-2

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General Information

  • CAS No. 20532-05-2
  • Cat. No. CS-0308982
  • Purity ≥97%
  • MDL No. MFCD00464304
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₄S
  • Molecular Weight 215.23
  • Synonym(s) 4-methyl-3-sulfamoylbenzoate
  • SMILES CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N

Description

4-Methyl-3-sulfamoylbenzoic acid features a sulfamoyl group flanked by a methyl substituent and a carboxylic acid moiety, enabling versatile conjugation in medicinal chemistry. This electron-deficient aromatic scaffold supports efficient derivatization under standard conditions, delivering stable intermediates for targeted bioactive molecule synthesis.

Application

4-Methyl-3-sulfamoylbenzoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, offering a robust scaffold with orthogonal functional groups. The carboxylic acid enables amide coupling and esterification, while the sulfamoyl group provides hydrogen-bonding capacity and metabolic stability. Its methyl substituent enhances lipophilicity and facilitates downstream derivatization. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • AVEXA LIMITED Patent: WO2007/124546 A1, 2007 ; Location in patent: Page/Page column 34 ;
  • Route2

    References

    • E. I. Du Pont de Nemours and Company Patent: US4302241 A1, 1981 ;

Safety Information

Download SDS
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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   97.46
  • LogP   0.34062
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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