Cas no 1152501-08-0 (3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide)

3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide is a fluorinated aromatic sulfonamide derivative characterized by its dual sulfonamide functionality and methanesulfonamide substitution. This compound is of interest in medicinal chemistry and pharmaceutical research due to its potential as a versatile intermediate in the synthesis of bioactive molecules. The presence of both sulfonamide groups enhances its ability to participate in hydrogen bonding and metal coordination, making it valuable for designing enzyme inhibitors or receptor modulators. The fluorine atom at the 3-position contributes to improved metabolic stability and lipophilicity, which may influence pharmacokinetic properties. Its well-defined structure allows for precise modifications in drug discovery applications.
3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide structure
1152501-08-0 structure
Product Name:3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide
CAS No:1152501-08-0
MF:C7H9FN2O4S2
MW:268.285762548447
CID:5054706
PubChem ID:43134202
Update Time:2025-05-25

3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide Chemical and Physical Properties

Names and Identifiers

    • 3-fluoro-4-methanesulfonamidobenzene-1-sulfonamide
    • NE37052
    • 3-fluoro-4-(methanesulfonamido)benzenesulfonamide
    • 3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide
    • Inchi: 1S/C7H9FN2O4S2/c1-15(11,12)10-7-3-2-5(4-6(7)8)16(9,13)14/h2-4,10H,1H3,(H2,9,13,14)
    • InChI Key: HTSVNLSQAYWGMV-UHFFFAOYSA-N
    • SMILES: S(C)(NC1C=CC(=CC=1F)S(N)(=O)=O)(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 436
  • XLogP3: 0.3
  • Topological Polar Surface Area: 123

3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide Pricemore >>

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Additional information on 3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide

Comprehensive Overview of 3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide (CAS No. 1152501-08-0)

3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide (CAS No. 1152501-08-0) is a specialized sulfonamide derivative with significant applications in pharmaceutical and chemical research. This compound, characterized by its unique fluoro and methanesulfonamide functional groups, has garnered attention for its potential in drug discovery and material science. Researchers are increasingly exploring its role in modulating biological pathways, particularly in the context of enzyme inhibition and receptor binding.

The molecular structure of 3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide features a benzene ring substituted with a fluorine atom at the 3-position and a methanesulfonamide group at the 4-position, along with a sulfonamide moiety at the 1-position. This arrangement imparts distinct electronic and steric properties, making it a valuable intermediate in synthetic chemistry. Recent studies highlight its utility in designing small-molecule inhibitors for targets such as carbonic anhydrases and tyrosine kinases, which are pivotal in treating conditions like cancer and metabolic disorders.

In the realm of drug development, CAS 1152501-08-0 is often discussed alongside trending topics such as precision medicine and personalized therapeutics. Its structural versatility allows for modifications that enhance bioavailability and target specificity, addressing common challenges in modern pharmacology. For instance, its sulfonamide group is known to interact with zinc ions in enzyme active sites, a feature exploited in developing anticonvulsants and diuretics.

From an industrial perspective, 3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide is synthesized through multi-step organic reactions, often involving electrophilic aromatic substitution and sulfonylation. Optimizing these processes is a focal point for chemists aiming to improve yield and purity. Environmental considerations also drive interest in green chemistry approaches, such as catalytic methods or solvent-free reactions, to minimize waste and energy consumption.

Analytical techniques like HPLC, NMR spectroscopy, and mass spectrometry are critical for characterizing this compound. Quality control protocols emphasize the detection of impurities, given its potential use in high-stakes applications. Regulatory compliance, particularly in regions like the U.S. FDA and European EMA, further underscores the need for rigorous standards in its production and handling.

Emerging trends in AI-driven drug discovery have also spotlighted CAS 1152501-08-0. Machine learning models predict its interactions with biological targets, accelerating the identification of novel therapeutic candidates. This aligns with growing public interest in computational chemistry and virtual screening, topics frequently searched in academic and industrial circles.

In summary, 3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide represents a convergence of chemical innovation and biomedical relevance. Its applications span from pharmaceutical intermediates to research tools, reflecting its adaptability to evolving scientific demands. As the fields of medicinal chemistry and materials science advance, this compound is poised to remain a subject of intensive study and practical utility.

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