CAS 1119451-24-9

1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-3-piperidinecarboxylic acid

Description:

1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-3-piperidinecarboxylic acid is a chemical compound characterized by its unique structure, which includes a benzothiadiazole moiety and a piperidine ring. The presence of the sulfonyl group enhances its solubility and reactivity, making it a potential candidate for various applications in medicinal chemistry and material science. This compound typically exhibits properties such as moderate to high polarity due to the sulfonyl and carboxylic acid functional groups, which can influence its interactions with biological targets. Additionally, the benzothiadiazole unit is known for its electronic properties, which may contribute to its utility in organic electronics or as a fluorescent probe. The piperidine ring adds to the compound's basicity and can participate in hydrogen bonding, affecting its pharmacokinetic properties. Overall, this compound's structural features suggest potential applications in drug development, particularly in targeting specific biological pathways or as a building block for more complex molecules.

Formula: C₁₂H₁₃N₃O₄S₂

InChI: InChI=1S/C12H13N3O4S2/c16-12(17)8-3-2-6-15(7-8)21(18,19)10-5-1-4-9-11(10)14-20-13-9/h1,4-5,8H,2-3,6-7H2,(H,16,17)

InChI key: InChIKey=BLNDZPZPIGJZCQ-UHFFFAOYSA-N

SMILES: S(=O)(=O)(C=1C=2C(C=CC1)=NSN2)N3CC(C(O)=O)CCC3

Synonyms:

• 3-Piperidinecarboxylic acid, 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-
• 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-3-piperidinecarboxylic acid