Cas no 2580241-45-6 (3-difluoromethanesulfonylbenzene-1-sulfonamide)

3-Difluoromethanesulfonylbenzene-1-sulfonamide is a specialized sulfonamide derivative featuring a difluoromethanesulfonyl substituent, which enhances its reactivity and stability in synthetic applications. This compound is particularly valuable in pharmaceutical and agrochemical research due to its unique electronic and steric properties, facilitating selective functionalization and serving as a versatile intermediate. The presence of both sulfonamide and difluoromethanesulfonyl groups contributes to its utility in cross-coupling reactions and as a building block for bioactive molecules. Its high purity and well-defined structure make it suitable for rigorous experimental conditions, ensuring reproducibility in complex synthetic pathways.
3-difluoromethanesulfonylbenzene-1-sulfonamide structure
2580241-45-6 structure
Product Name:3-difluoromethanesulfonylbenzene-1-sulfonamide
CAS No:2580241-45-6
MF:C7H7F2NO4S2
MW:271.261586427689
CID:5664524
PubChem ID:150520712
Update Time:2025-10-29

3-difluoromethanesulfonylbenzene-1-sulfonamide Chemical and Physical Properties

Names and Identifiers

    • 2580241-45-6
    • 3-(Difluoromethylsulfonyl)benzenesulfonamide
    • 3-difluoromethanesulfonylbenzene-1-sulfonamide
    • EN300-27733377
    • IBTTZCMYMUGBTK-UHFFFAOYSA-N
    • Inchi: 1S/C7H7F2NO4S2/c8-7(9)15(11,12)5-2-1-3-6(4-5)16(10,13)14/h1-4,7H,(H2,10,13,14)
    • InChI Key: IBTTZCMYMUGBTK-UHFFFAOYSA-N
    • SMILES: S(C(F)F)(C1C=CC=C(C=1)S(N)(=O)=O)(=O)=O

Computed Properties

  • Exact Mass: 270.97845638g/mol
  • Monoisotopic Mass: 270.97845638g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 434
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 111?2

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Additional information on 3-difluoromethanesulfonylbenzene-1-sulfonamide

3-Difluoromethanesulfonylbenzene-1-sulfonamide (CAS No. 2580241-45-6): An Overview of a Promising Compound in Medicinal Chemistry

3-Difluoromethanesulfonylbenzene-1-sulfonamide (CAS No. 2580241-45-6) is a novel compound that has garnered significant attention in the field of medicinal chemistry due to its unique structural features and potential therapeutic applications. This compound, characterized by its difluoromethanesulfonyl and sulfonamide functionalities, represents a class of molecules with promising biological activities. In this article, we will delve into the chemical structure, synthesis methods, biological properties, and potential applications of 3-difluoromethanesulfonylbenzene-1-sulfonamide.

The chemical structure of 3-difluoromethanesulfonylbenzene-1-sulfonamide is defined by its aromatic benzene ring substituted with a difluoromethanesulfonyl group at the 3-position and a sulfonamide group at the 1-position. The presence of these functional groups imparts unique physicochemical properties to the molecule, making it an attractive candidate for various pharmaceutical applications. The difluoromethanesulfonyl group, in particular, is known for its ability to modulate biological activity and improve pharmacokinetic profiles.

The synthesis of 3-difluoromethanesulfonylbenzene-1-sulfonamide typically involves a multi-step process that begins with the preparation of the difluoromethanesulfonyl chloride intermediate. This intermediate is then reacted with an appropriate aromatic amine to form the desired sulfonamide product. Recent advancements in synthetic methodologies have led to more efficient and scalable routes for the production of this compound, facilitating its use in both academic research and industrial settings.

In terms of biological activity, 3-difluoromethanesulfonylbenzene-1-sulfonamide has shown promising results in various preclinical studies. One of the key areas of interest is its potential as an inhibitor of specific enzymes involved in disease pathways. For instance, it has been reported to exhibit potent inhibitory activity against certain kinases, which are key targets in cancer therapy. Additionally, preliminary studies have indicated that this compound may have anti-inflammatory properties, making it a potential candidate for the treatment of inflammatory diseases.

The pharmacokinetic profile of 3-difluoromethanesulfonylbenzene-1-sulfonamide is another important aspect that has been investigated. Studies have shown that this compound exhibits favorable absorption, distribution, metabolism, and excretion (ADME) properties. Its high solubility and stability contribute to its suitability for oral administration, which is a desirable feature for drug development. Furthermore, the compound's low toxicity profile has been confirmed through in vitro and in vivo assays, enhancing its safety margin.

The potential therapeutic applications of 3-difluoromethanesulfonylbenzene-1-sulfonamide are diverse and span multiple disease areas. In oncology, its kinase inhibitory activity makes it a promising lead compound for the development of targeted cancer therapies. In addition to cancer, this compound's anti-inflammatory properties suggest its potential use in treating conditions such as rheumatoid arthritis and inflammatory bowel disease (IBD). Clinical trials are currently underway to further evaluate the efficacy and safety of this compound in these indications.

Beyond its direct therapeutic applications, 3-difluoromethanesulfonylbenzene-1-sulfonamide also serves as a valuable tool in chemical biology research. Its unique structure allows it to serve as a probe for studying enzyme mechanisms and cellular processes. This has led to new insights into the molecular basis of various diseases and has opened up new avenues for drug discovery.

In conclusion, 3-difluoromethanesulfonylbenzene-1-sulfonamide (CAS No. 2580241-45-6) is a promising compound with a rich array of biological activities and potential therapeutic applications. Its unique chemical structure, favorable pharmacokinetic properties, and low toxicity profile make it an attractive candidate for further development in both academic research and pharmaceutical industries. As ongoing studies continue to uncover new aspects of this compound's behavior and utility, it is likely that it will play an increasingly important role in advancing our understanding and treatment of various diseases.

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