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CS-W001157 4
Total: USD 88.00

4-(Methylsulfonamido)benzoic acid

  • CAS No. 7151-76-0

  • Cat. No. CS-0106509
  • Purity≥98%
  • MDL No.MFCD00025052

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

4-(Methylsulfonamido)benzoic acid|CS-0106509

Structure of 7151-76-0

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General Information

  • CAS No. 7151-76-0
  • Cat. No. CS-0106509
  • Purity ≥98%
  • MDL No. MFCD00025052
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₄S
  • Molecular Weight 215.23
  • Synonym(s) 4-[(Methylsulfonyl)amino]benzoic acid
  • SMILES CS(=O)(NC1=CC=C(C(O)=O)C=C1)=O

Description

4-(Methylsulfonamido)benzoic acid features a para-substituted aromatic core with a sulfonamide group linked to a methyl moiety and a carboxylic acid functionality. This combination enables robust hydrogen bonding and polarity, facilitating integration into bioactive scaffolds and enabling solubility in polar media under standard conditions.

Application

4-(Methylsulfonamido)benzoic 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 sulfonamide groups—facilitates diverse coupling reactions, including amide formation and amidation, while maintaining excellent bench stability and ease of purification. The molecule exhibits good solubility in common organic solvents and demonstrates robust functional group tolerance, making it well-suited for multi-step synthesis workflows in API development.

Synthesis

  • Route1
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • null|null
      124-63-0
    • ~72%
    • In-stock
      4-(Methylsulfonamido)benzoic acid|CS-0106509
      7151-76-0

    References

    • Journal of Organic Chemistry, , vol. 66, # 25 p. 8293 - 8296
  • Route2

    References

    • US2002/58809 A1, ;
  • Route3
    • In-stock
      4-(Carbomethoxy)aniline|CS-W009283
      619-45-4
    • null|null
      7143-01-3
    • ~94%
    • In-stock
      4-(Methylsulfonamido)benzoic acid|CS-0106509
      7151-76-0

    References

    • Tetrahedron Letters, , vol. 49, # 44 p. 6300 - 6303

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   0.7563
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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