Cas no 951885-25-9 (N,N-Diethyl 3-bromo-5-trifluoromethylbenzenesulfonamide)

N,N-Diethyl 3-bromo-5-trifluoromethylbenzenesulfonamide is a brominated and trifluoromethyl-substituted benzenesulfonamide derivative, characterized by its unique structural features. The presence of both bromine and trifluoromethyl groups enhances its reactivity, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The diethylamino group contributes to its solubility in organic solvents, facilitating further functionalization. This compound is particularly useful in cross-coupling reactions and as a building block for sulfonamide-based bioactive molecules. Its stability under standard conditions ensures ease of handling and storage, while its distinct substitution pattern offers selectivity in synthetic applications.
N,N-Diethyl 3-bromo-5-trifluoromethylbenzenesulfonamide structure
951885-25-9 structure
Product Name:N,N-Diethyl 3-bromo-5-trifluoromethylbenzenesulfonamide
CAS No:951885-25-9
MF:C11H13BrF3NO2S
MW:360.190631628037
MDL:MFCD09800988
CID:857873
PubChem ID:26986208
Update Time:2025-11-02

N,N-Diethyl 3-bromo-5-trifluoromethylbenzenesulfonamide Chemical and Physical Properties

Names and Identifiers

    • N,N-DIETHYL 3-BROMO-5-TRIFLUOROMETHYLBENZENESULFONAMIDE
    • 3-Bromo-N,N-diethyl-5-(trifluoromethyl)benzenesulfonamide
    • 3-BROMO-5-(N,N-DIETHYLSULPHAMOYL)BENZOTRIFLUORIDE
    • 3-Bromo-N,N-diethyl-5-(trifluoromethyl)-benzenesulfonamide
    • PC8080
    • DTXSID00650509
    • 951885-25-9
    • MFCD09800988
    • A859151
    • 3-Bromo-N,N-diethyl-5-(trifluoromethyl)benzene-1-sulfonamide
    • BS-23698
    • AKOS015834300
    • 3-Bromo-N,N-diethyl-5-(trifluoromethyl)benzenesulphonamide
    • SGMCPKZHSCXYIR-UHFFFAOYSA-N
    • DB-371218
    • N,N-Diethyl-3-bromo-5-trifluoromethylbenzenesulfonamide
    • N,N-Diethyl 3-bromo-5-trifluoromethylbenzenesulfonamide
    • MDL: MFCD09800988
    • Inchi: 1S/C11H13BrF3NO2S/c1-3-16(4-2)19(17,18)10-6-8(11(13,14)15)5-9(12)7-10/h5-7H,3-4H2,1-2H3
    • InChI Key: SGMCPKZHSCXYIR-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C(F)(F)F)C=C(C=1)S(N(CC)CC)(=O)=O

Computed Properties

  • Exact Mass: 358.98000
  • Monoisotopic Mass: 358.98025g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 390
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.4
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 45.76000
  • LogP: 4.57920

N,N-Diethyl 3-bromo-5-trifluoromethylbenzenesulfonamide Customs Data

  • HS CODE:2935009090
  • Customs Data:

    China Customs Code:

    2935009090

    Overview:

    2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

N,N-Diethyl 3-bromo-5-trifluoromethylbenzenesulfonamide Pricemore >>

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Additional information on N,N-Diethyl 3-bromo-5-trifluoromethylbenzenesulfonamide

Recent Advances in the Study of N,N-Diethyl 3-bromo-5-trifluoromethylbenzenesulfonamide (CAS: 951885-25-9)

N,N-Diethyl 3-bromo-5-trifluoromethylbenzenesulfonamide (CAS: 951885-25-9) has emerged as a compound of significant interest in the field of chemical biology and medicinal chemistry. Recent studies have focused on its synthesis, structural characterization, and potential applications in drug discovery and development. This research brief aims to provide an overview of the latest findings related to this compound, highlighting its chemical properties, biological activities, and therapeutic potential.

The synthesis of N,N-Diethyl 3-bromo-5-trifluoromethylbenzenesulfonamide has been optimized in recent studies, with a focus on improving yield and purity. Advanced techniques such as high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy have been employed to characterize the compound. These studies have confirmed the structural integrity of the molecule and provided insights into its stability under various conditions.

In terms of biological activity, N,N-Diethyl 3-bromo-5-trifluoromethylbenzenesulfonamide has shown promising results in preliminary screening assays. Researchers have investigated its potential as an inhibitor of specific enzymes involved in inflammatory pathways. The compound's unique structural features, including the trifluoromethyl and bromo substituents, are believed to contribute to its binding affinity and selectivity. Further in vitro and in vivo studies are underway to elucidate its mechanism of action and evaluate its efficacy in disease models.

Recent publications have also explored the potential of N,N-Diethyl 3-bromo-5-trifluoromethylbenzenesulfonamide as a building block for the development of more complex therapeutic agents. Its sulfonamide moiety, in particular, has been leveraged to design derivatives with enhanced pharmacokinetic properties. Computational modeling and structure-activity relationship (SAR) studies have provided valuable insights into the optimization of these derivatives for specific biological targets.

Despite these advancements, challenges remain in the development of N,N-Diethyl 3-bromo-5-trifluoromethylbenzenesulfonamide-based therapeutics. Issues such as solubility, bioavailability, and potential off-target effects need to be addressed in future research. Collaborative efforts between chemists, biologists, and pharmacologists will be essential to overcome these hurdles and translate the compound's potential into clinical applications.

In conclusion, N,N-Diethyl 3-bromo-5-trifluoromethylbenzenesulfonamide (CAS: 951885-25-9) represents a promising candidate for further investigation in the field of medicinal chemistry. Its unique chemical structure and preliminary biological activities warrant continued research to fully explore its therapeutic potential. Future studies should focus on optimizing its properties and evaluating its safety and efficacy in relevant disease models.

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