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CAS 868238-01-1

:

3-[(2-Propyn-1-ylamino)sulfonyl]benzoic acid

Description:
3-[(2-Propyn-1-ylamino)sulfonyl]benzoic acid, identified by its CAS number 868238-01-1, is an organic compound characterized by the presence of a benzoic acid moiety substituted with a sulfonamide group. This compound features a propynylamine side chain, which contributes to its unique chemical properties. The sulfonyl group enhances its potential as a sulfonamide, which can exhibit various biological activities, including antimicrobial and anti-inflammatory effects. The presence of the carboxylic acid functional group allows for potential interactions in biological systems, such as hydrogen bonding and ionic interactions. Additionally, the compound's structure suggests it may participate in various chemical reactions, including nucleophilic substitutions and coupling reactions. Its solubility and stability can be influenced by the pH of the environment, making it relevant in both synthetic and biological contexts. Overall, this compound's unique structural features position it as a candidate for further research in medicinal chemistry and related fields.
Formula:C10H9NO4S
InChI:InChI=1S/C10H9NO4S/c1-2-6-11-16(14,15)9-5-3-4-8(7-9)10(12)13/h1,3-5,7,11H,6H2,(H,12,13)
InChI key:InChIKey=JXDOWVPMLOMFRR-UHFFFAOYSA-N
SMILES:S(NCC#C)(=O)(=O)C1=CC(C(O)=O)=CC=C1
Synonyms:
  • 3-[(2-Propyn-1-ylamino)sulfonyl]benzoic acid
  • Benzoic acid, 3-[(2-propyn-1-ylamino)sulfonyl]-
  • Benzoic acid, 3-[(2-propynylamino)sulfonyl]-
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