Cas no 1020253-05-7 (4-Bromo-N-butyl-3-(trifluoromethyl)benzenesulfonamide)

4-Bromo-N-butyl-3-(trifluoromethyl)benzenesulfonamide is a specialized sulfonamide derivative featuring a bromo-substituted aromatic ring and a trifluoromethyl group, enhancing its reactivity and potential utility in organic synthesis. The butyl chain improves solubility in nonpolar solvents, facilitating its use in various reaction conditions. This compound is particularly valuable in pharmaceutical and agrochemical research as a versatile intermediate for constructing complex molecules. Its electron-withdrawing groups (bromo and trifluoromethyl) make it suitable for nucleophilic substitution and cross-coupling reactions. The sulfonamide moiety further expands its applicability in medicinal chemistry, offering opportunities for derivatization and bioactivity exploration. High purity and stability ensure reliable performance in synthetic applications.
4-Bromo-N-butyl-3-(trifluoromethyl)benzenesulfonamide structure
1020253-05-7 structure
Product Name:4-Bromo-N-butyl-3-(trifluoromethyl)benzenesulfonamide
CAS No:1020253-05-7
MF:C11H13BrF3NO2S
MW:360.190631628037
MDL:MFCD09972161
CID:857117
PubChem ID:46738717
Update Time:2025-05-26

4-Bromo-N-butyl-3-(trifluoromethyl)benzenesulfonamide Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-N-butyl-3-(trifluoromethyl)benzenesulfonamide
    • 4-Bromo-N-butyl-3-(trifluoromethyl)-benzenesulfonamide
    • 4-Bromo-N-butyl-3-(trifluoromethyl)benzene-1-sulfonamide
    • DTXSID10674372
    • CS-0440035
    • MFCD09972161
    • 1020253-05-7
    • AKOS015835267
    • BS-19179
    • Benzenesulfonamide, 4-bromo-N-butyl-3-(trifluoromethyl)-
    • SB82870
    • MDL: MFCD09972161
    • Inchi: 1S/C11H13BrF3NO2S/c1-2-3-6-16-19(17,18)8-4-5-10(12)9(7-8)11(13,14)15/h4-5,7,16H,2-3,6H2,1H3
    • InChI Key: BULCCCDZIBVCBO-UHFFFAOYSA-N
    • SMILES: C1(S(NCCCC)(=O)=O)=CC=C(Br)C(C(F)(F)F)=C1

Computed Properties

  • Exact Mass: 358.98000
  • Monoisotopic Mass: 358.98025g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 380
  • 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: 3.7
  • Topological Polar Surface Area: 54.6?2

Experimental Properties

  • Density: 1.505±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.027 g/l) (25 o C),
  • PSA: 54.55000
  • LogP: 5.01800

4-Bromo-N-butyl-3-(trifluoromethyl)benzenesulfonamide 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%

4-Bromo-N-butyl-3-(trifluoromethyl)benzenesulfonamide Pricemore >>

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Additional information on 4-Bromo-N-butyl-3-(trifluoromethyl)benzenesulfonamide

Comprehensive Overview of 4-Bromo-N-butyl-3-(trifluoromethyl)benzenesulfonamide (CAS No. 1020253-05-7)

4-Bromo-N-butyl-3-(trifluoromethyl)benzenesulfonamide (CAS No. 1020253-05-7) is a specialized sulfonamide derivative with significant applications in pharmaceutical and agrochemical research. This compound, characterized by its bromine and trifluoromethyl functional groups, has garnered attention for its unique chemical properties and potential in drug discovery. Researchers often explore its role as a building block in organic synthesis, particularly in the development of bioactive molecules targeting enzyme inhibition or receptor modulation.

The molecular structure of 4-Bromo-N-butyl-3-(trifluoromethyl)benzenesulfonamide features a benzenesulfonamide core substituted with a bromine atom at the 4-position and a trifluoromethyl group at the 3-position. The N-butyl side chain enhances its lipophilicity, making it suitable for studies involving membrane permeability and drug delivery systems. This compound is frequently referenced in patents and scientific literature related to kinase inhibitors and anti-inflammatory agents, aligning with current trends in precision medicine and targeted therapies.

In the context of green chemistry, 4-Bromo-N-butyl-3-(trifluoromethyl)benzenesulfonamide is often discussed for its potential in sustainable synthesis routes. With growing interest in environmentally friendly chemical processes, researchers are investigating catalytic methods to reduce waste and energy consumption during its production. This aligns with the broader industry shift toward ESG (Environmental, Social, and Governance) compliance, a topic frequently searched by professionals in the chemical sector.

The compound’s CAS No. 1020253-05-7 is a critical identifier for regulatory and safety documentation. Laboratories handling this material prioritize analytical purity and stability testing, as impurities can significantly impact experimental outcomes. Advanced techniques like HPLC and NMR spectroscopy are employed to verify its quality, addressing common queries about compound characterization in peer-reviewed studies.

From a commercial perspective, 4-Bromo-N-butyl-3-(trifluoromethyl)benzenesulfonamide is supplied by specialized chemical manufacturers catering to R&D sectors. Its pricing and availability are influenced by factors such as raw material costs and synthetic complexity, topics often explored in market analysis reports. Additionally, its inclusion in high-throughput screening libraries underscores its relevance in drug discovery pipelines, a hot topic in biotech innovation forums.

Future research directions for CAS No. 1020253-05-7 may focus on its structure-activity relationships (SAR) to optimize pharmacological profiles. As computational chemistry tools like molecular docking gain traction, this compound could serve as a model for in silico studies predicting binding affinities—a frequently searched topic among medicinal chemists. Its versatility ensures continued interest across multidisciplinary fields, from material science to bioconjugation techniques.

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