CAS 32685-23-7

1H-Indole-5-carbonitrile, 1-[(4-methylphenyl)sulfonyl]-

Description:

1H-Indole-5-carbonitrile, 1-[(4-methylphenyl)sulfonyl]- is an organic compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. The presence of a carbonitrile group (-C≡N) at the 5-position of the indole contributes to its reactivity and potential applications in organic synthesis. The sulfonyl group, specifically a para-methylphenylsulfonyl moiety, enhances the compound's electrophilic properties, making it useful in various chemical reactions, including nucleophilic substitutions. This compound may exhibit biological activity, as many indole derivatives are known for their pharmacological properties. Its molecular structure suggests potential solubility in organic solvents, while the presence of polar functional groups may influence its interactions with biological systems. Overall, 1H-Indole-5-carbonitrile, 1-[(4-methylphenyl)sulfonyl]- is of interest in medicinal chemistry and material science due to its unique structural features and potential reactivity.

Formula: C₁₆H₁₂N₂O₂S

InChI: InChI=1S/C16H12N2O2S/c1-12-2-5-15(6-3-12)21(19,20)18-9-8-14-10-13(11-17)4-7-16(14)18/h2-10H,1H3

InChI key: XCOIQAXZQXWZSE-UHFFFAOYSA-N

SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)C#N