CAS 107622-04-8

4-[[[[(4-Chlorophenyl)methyl]amino]thioxomethyl]amino]benzenesulfonamide

Description:

4-[[[[(4-Chlorophenyl)methyl]amino]thioxomethyl]amino]benzenesulfonamide, with the CAS number 107622-04-8, is a chemical compound characterized by its complex structure, which includes a sulfonamide group, a thioxomethyl moiety, and a chlorophenyl substituent. This compound typically exhibits properties associated with sulfonamides, such as potential antibacterial activity, due to the presence of the sulfonamide functional group. The chlorophenyl group may contribute to its lipophilicity, influencing its solubility and biological activity. Additionally, the thioxomethyl group can impart unique reactivity, potentially allowing for interactions with biological targets. The compound's molecular structure suggests it may participate in hydrogen bonding and other intermolecular interactions, which can affect its pharmacokinetics and pharmacodynamics. Overall, this compound's characteristics make it of interest in medicinal chemistry, particularly in the development of therapeutic agents. However, specific physical properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₁₄H₁₄ClN₃O₂S₂

InChI: InChI=1S/C14H14ClN3O2S2/c15-11-3-1-10(2-4-11)9-17-14(21)18-12-5-7-13(8-6-12)22(16,19)20/h1-8H,9H2,(H2,16,19,20)(H2,17,18,21)

InChI key: InChIKey=YLGYZZQFFUNCMT-UHFFFAOYSA-N

SMILES: N(C(NCC1=CC=C(Cl)C=C1)=S)C2=CC=C(S(N)(=O)=O)C=C2

Synonyms:

• 1-[(4-Chlorophenyl)methyl]-3-(4-sulfamoylphenyl)thiourea
• Urea, 1-p-chlorobenzyl-3-p-sulfamoylphenyl-2-thio-
• Benzenesulfonamide, 4-[[[[(4-chlorophenyl)methyl]amino]thioxomethyl]amino]-
• 4-[[[[(4-Chlorophenyl)methyl]amino]thioxomethyl]amino]benzenesulfonamide