Description

3-Iodo-N-(4-(pentafluoro-l6-sulfanyl)phenyl)benzamide (CAS No. 2757085-57-5) is a high-purity specialty chemical designed for advanced research and pharmaceutical applications. This compound features a unique pentafluoro-l6-sulfanyl (SF5) functional group, known for its exceptional electronegativity and stability, making it a valuable building block in medicinal chemistry and materials science. With the molecular formula C13H9F5INOS, it offers a versatile iodine substituent for further functionalization via cross-coupling reactions. Ideal for Suzuki, Stille, or Sonogashira couplings, this reagent is rigorously tested for quality and consistency, ensuring reliable performance in synthetic workflows. Supplied as a crystalline solid with >95% purity (HPLC), it is packaged under inert conditions to guarantee stability and longevity.

Properties

• CAS Number: 2757085-57-5
• Complexity: 435
• IUPAC Name: 3-iodo-N-[4-(pentafluoro-lambda6-sulfanyl)phenyl]benzamide
• InChI: InChI=1S/C13H9F5INOS/c14-22(15,16,17,18)12-6-4-11(5-7-12)20-13(21)9-2-1-3-10(19)8-9/h1-8H,(H,20,21)
• InChI Key: CPDPADNOKHXFKR-UHFFFAOYSA-N
• Exact Mass: 448.93697
• Molecular Formula: C13H9F5INOS
• Molecular Weight: 449.18
• SMILES: C1=CC(=CC(=C1)I)C(=O)NC2=CC=C(C=C2)S(F)(F)(F)(F)F
• Topological: 30.1
• Monoisotopic Mass: 448.93697
• Synonyms: 3-Iodo-N-(4-(pentafluoro-l6-sulfanyl)phenyl)benzamide, 2757085-57-5, MFCD34598576, F71704

Application

This compound is primarily used as a key intermediate in the synthesis of SF5-containing bioactive molecules, particularly in drug discovery for its potential to enhance metabolic stability and binding affinity. Its iodine moiety enables efficient derivatization for constructing complex architectures in agrochemical and pharmaceutical research. Researchers also explore its utility in advanced materials, such as liquid crystals and high-performance polymers, due to the SF5 group’s unique electronic properties.

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