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CS-W001157 4
Total: USD 88.00

3-Sulfamoylbenzoic acid

  • CAS No. 636-76-0

  • Cat. No. CS-W000555
  • Purity≥95%
  • MDL No.MFCD01122318

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

3-Sulfamoylbenzoic acid|CS-W000555

Structure of 636-76-0

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General Information

  • CAS No. 636-76-0
  • Cat. No. CS-W000555
  • Purity ≥95%
  • MDL No. MFCD01122318
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₄S
  • Molecular Weight 201.20
  • Synonym(s) Benzoic acid, 3-(aminosulfonyl)-
  • SMILES NS(=O)(=O)c1cccc(c1)C(O)=O

Description

3-Sulfamoylbenzoic acid features a sulfamoyl group ortho to a carboxylic acid, delivering enhanced solubility and hydrogen-bonding capacity. This combination enables robust integration into bioactive scaffolds and facilitates conjugation in medicinal chemistry campaigns.

Application

3-Sulfamoylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and pharmaceutical scaffolds. Its dual functionality—carboxylic acid and sulfamoyl group—facilitates diverse conjugation strategies, including amide bond formation and metal coordination. The compound exhibits good bench stability and is readily purified by recrystallization, supporting efficient integration into multi-step synthesis workflows.

Synthesis

  • Route1

    References

    • APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. Patent: WO2007/23186 A1, 2007 ; Location in patent: Page/Page column 45 ; WO 2007/023186 A1
  • Route2

    References

    • EP1679069 A1, ; Page/Page column 92 ;
  • Route3

    References

    • American Chemical Journal, , vol. 4, p. 143

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   97.46
  • LogP   0.0322
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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