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CS-W001157 4
Total: USD 88.00

3-[(Methylamino)sulphonyl]benzoic Acid

  • CAS No. 35623-11-1

  • Cat. No. CS-0150988
  • Purity≥96%
  • MDL No.MFCD02707876

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

3-[(Methylamino)sulphonyl]benzoic Acid|CS-0150988

Structure of 35623-11-1

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General Information

  • CAS No. 35623-11-1
  • Cat. No. CS-0150988
  • Purity ≥96%
  • MDL No. MFCD02707876
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₄S
  • Molecular Weight 215.23
  • Synonym(s) 3-Methylsulfamoyl-benzoic acid
  • SMILES CNS(=O)(=O)C1=CC=CC(=C1)C(=O)O

Description

This sulfonamide-substituted benzoic acid features a methylamino group that enhances solubility and modulates electronic properties. The para-positioned sulfonamide moiety provides strong hydrogen-bonding capacity, enabling precise molecular recognition in bioconjugation and medicinal chemistry applications.

Application

3-[(Methylamino)sulphonyl]benzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutically relevant scaffolds. The molecule combines a sulfonamide group with a carboxylic acid functionality, offering orthogonal reactivity for peptide coupling, derivatization, and metal coordination. Its bench-stable nature and compatibility with standard synthetic protocols facilitate efficient incorporation into target molecules during lead optimization campaigns.

Synthesis

  • Route1
    • In-stock
      3-(Chlorosulfonyl)benzoic acid|CS-W014244
      4025-64-3
    • null|null
      74-89-5
    • ~95%
    • In-stock
      3-[(Methylamino)sulphonyl]benzoic Acid|CS-0150988
      35623-11-1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BOEHRINGER INGELHEIM PHARMA GMBH and CO. KG Patent: WO2007/67836 A2, 2007 ; Location in patent: Page/Page column 139 ; WO 2007/067836 A2

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

Quality Control

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Computational Chemistry Data

  • TPSA   83.47
  • LogP   0.2929
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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