CAS 1000018-47-2

4-(Methylsulfonyl)-3-(1-piperidinyl)benzoic acid

Description:

4-(Methylsulfonyl)-3-(1-piperidinyl)benzoic acid, identified by its CAS number 1000018-47-2, is an organic compound characterized by the presence of a benzoic acid core substituted with a methylsulfonyl group and a piperidine moiety. This compound typically exhibits properties such as being a solid at room temperature, with potential solubility in polar solvents due to the presence of the carboxylic acid and sulfonyl functional groups. The piperidine ring contributes to its basicity and may influence its interaction with biological targets. Its structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as the piperidine group is often associated with various biological activities. The compound may also exhibit moderate to high melting and boiling points, depending on its purity and crystalline form. Additionally, it is important to consider its stability under various conditions, as well as its reactivity with other chemical agents, which can be crucial for its handling and application in research and industry.

Formula: C₁₃H₁₇NO₄S

InChI: InChI=1S/C13H17NO4S/c1-19(17,18)12-6-5-10(13(15)16)9-11(12)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)

InChI key: InChIKey=CBYNXNKBSCPATK-UHFFFAOYSA-N

SMILES: S(C)(=O)(=O)C1=C(C=C(C(O)=O)C=C1)N2CCCCC2

Synonyms:

• Benzoic acid, 4-(methylsulfonyl)-3-(1-piperidinyl)-
• 4-(Methylsulfonyl)-3-(1-piperidinyl)benzoic acid