Description

4-(Pentafluorosulfur)benzamide (CAS No. 1020113-65-8) is a high-purity fluorinated benzamide derivative with the molecular formula C₇H₆F₅NOS. This compound features a pentafluorosulfur (-SF₅) functional group attached to a benzamide core, making it a valuable building block for advanced organic synthesis and medicinal chemistry applications. Its unique structural properties, including high electronegativity and lipophilicity, enhance its utility in drug discovery, agrochemical research, and materials science. Available in >98% purity (HPLC), this reagent is supplied as a white to off-white crystalline powder, rigorously tested for consistency and stability. Suitable for use in nucleophilic substitution reactions, cross-coupling, and as a precursor for bioactive molecules. Store under inert conditions at 2-8°C to maintain integrity.

Properties

• CAS Number: 1020113-65-8
• Complexity: 278
• IUPAC Name: 4-(pentafluoro-lambda6-sulfanyl)benzamide
• InChI: InChI=1S/C7H6F5NOS/c8-15(9,10,11,12)6-3-1-5(2-4-6)7(13)14/h1-4H,(H2,13,14)
• InChI Key: MVRXMHQBQZQJMM-UHFFFAOYSA-N
• Exact Mass: 247.00902580
• Molecular Formula: C7H6F5NOS
• Molecular Weight: 247.19
• SMILES: C1=CC(=CC=C1C(=O)N)S(F)(F)(F)(F)F
• Topological: 44.1
• Monoisotopic Mass: 247.00902580
• Synonyms: 4-(Pentafluorosulfur)benzamide, 1020113-65-8, 4-(pentafluorothio)benzamide, 4-(pentafluoro-lambda6-sulfanyl)benzamide, MFCD16652448, SCHEMBL3539246, AKOS015957084, CS-0440028

Application

4-(Pentafluorosulfur)benzamide is widely employed as a key intermediate in pharmaceutical research, particularly in the development of SF₅-containing drug candidates due to its metabolic stability and bioavailability-enhancing properties. It serves as a versatile scaffold for designing protease inhibitors and receptor modulators in medicinal chemistry. Additionally, this compound is utilized in agrochemical synthesis to create novel pesticides and herbicides with improved efficacy. Its robust fluorinated structure also makes it a candidate for advanced materials, such as liquid crystals and polymers with high thermal resistance.

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