CAS 956576-74-2

4-Isothiocyanato-N-(1-phenylethyl)benzenesulfonamide

Description:

4-Isothiocyanato-N-(1-phenylethyl)benzenesulfonamide is a chemical compound characterized by the presence of an isothiocyanate functional group, which is known for its reactivity and ability to form thioureas and other derivatives. This compound features a sulfonamide group, which contributes to its solubility and potential biological activity. The phenylethyl moiety suggests that it may exhibit hydrophobic characteristics, influencing its interaction with biological systems. The presence of the isothiocyanate group indicates potential applications in medicinal chemistry, particularly in the development of anticancer agents, as isothiocyanates are known for their ability to induce apoptosis in cancer cells. Additionally, the compound may exhibit antimicrobial properties due to the sulfonamide component. Its molecular structure suggests that it could participate in various chemical reactions, making it a candidate for further research in synthetic organic chemistry and pharmacology. Safety and handling precautions should be observed due to the potential toxicity associated with isothiocyanates and sulfonamides.

Formula: C₁₅H₁₄N₂O₂S₂

InChI: InChI=1S/C15H14N2O2S2/c1-12(13-5-3-2-4-6-13)17-21(18,19)15-9-7-14(8-10-15)16-11-20/h2-10,12,17H,1H3

InChI key: InChIKey=VJCITSBIDZHEPQ-UHFFFAOYSA-N

SMILES: S(NC(C)C1=CC=CC=C1)(=O)(=O)C2=CC=C(N=C=S)C=C2

Synonyms:

• Benzenesulfonamide, 4-isothiocyanato-N-(1-phenylethyl)-
• 4-Isothiocyanato-N-(1-phenylethyl)benzenesulfonamide