CAS 91558-68-8

1-[(2-Methyl-5-nitrophenyl)sulfonyl]piperidine

Description:

1-[(2-Methyl-5-nitrophenyl)sulfonyl]piperidine, identified by its CAS number 91558-68-8, is an organic compound characterized by the presence of a piperidine ring, which is a six-membered saturated nitrogen-containing heterocycle. This compound features a sulfonyl group attached to a phenyl ring that is further substituted with a methyl group and a nitro group, indicating its potential as a sulfonamide derivative. The presence of the nitro group suggests that it may exhibit unique electronic properties, potentially influencing its reactivity and interactions in various chemical environments. The sulfonyl moiety typically enhances solubility and can participate in various chemical reactions, making this compound of interest in medicinal chemistry and material science. Its structural features may contribute to biological activity, making it a candidate for further investigation in pharmacological studies. Overall, the compound's unique functional groups and structural characteristics position it as a significant entity in organic synthesis and potential therapeutic applications.

Formula: C₁₂H₁₆N₂O₄S

InChI: InChI=1S/C12H16N2O4S/c1-10-5-6-11(14(15)16)9-12(10)19(17,18)13-7-3-2-4-8-13/h5-6,9H,2-4,7-8H2,1H3

InChI key: InChIKey=USGXODKIOMRFRA-UHFFFAOYSA-N

SMILES: S(=O)(=O)(C1=CC(N(=O)=O)=CC=C1C)N2CCCCC2

Synonyms:

• 1-(2-Methyl-5-nitro-benzenesulfonyl)-piperidine
• 1-[(2-Methyl-5-nitrophenyl)sulfonyl]piperidine
• Piperidine, 1-[(2-methyl-5-nitrophenyl)sulfonyl]-
• Piperidine, 1-[(5-nitro-o-tolyl)sulfonyl]-