Cas no 383146-74-5 (3-[(4-CHLOROBENZYL)SULFONYL]-4-ETHYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOLE)

3-[(4-Chlorobenzyl)sulfonyl]-4-ethyl-5-([3-(trifluoromethyl)phenoxy]methyl)-4H-1,2,4-triazole is a specialized heterocyclic compound featuring a 1,2,4-triazole core functionalized with a chlorobenzyl sulfonyl group, an ethyl substituent, and a trifluoromethylphenoxymethyl moiety. This structure confers potential utility in medicinal chemistry and agrochemical applications due to its combination of sulfonyl, trifluoromethyl, and triazole pharmacophores, which are known to enhance bioactivity and metabolic stability. The compound's unique substitution pattern may offer advantages in binding affinity, selectivity, or resistance profiles in targeted applications. Its well-defined molecular architecture makes it a candidate for further investigation in drug discovery or crop protection research.
3-[(4-CHLOROBENZYL)SULFONYL]-4-ETHYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOLE structure
383146-74-5 structure
Product Name:3-[(4-CHLOROBENZYL)SULFONYL]-4-ETHYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOLE
CAS No:383146-74-5
MF:C19H17ClF3N3O3S
MW:459.869792699814
CID:5234610
Update Time:2026-03-08

3-[(4-CHLOROBENZYL)SULFONYL]-4-ETHYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOLE Chemical and Physical Properties

Names and Identifiers

    • 3-[(4-chlorophenyl)methanesulfonyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
    • 4-CHLOROBENZYL 4-ETHYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOL-3-YL SULFONE
    • 3-[(4-CHLOROBENZYL)SULFONYL]-4-ETHYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOLE
    • 3-[(4-chlorophenyl)methylsulfonyl]-4-ethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole
    • 4-chlorobenzyl 4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl sulfone
    • Inchi: 1S/C19H17ClF3N3O3S/c1-2-26-17(11-29-16-5-3-4-14(10-16)19(21,22)23)24-25-18(26)30(27,28)12-13-6-8-15(20)9-7-13/h3-10H,2,11-12H2,1H3
    • InChI Key: SBTPNPKUFRKMHX-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)CS(C1=NN=C(COC2C=CC=C(C(F)(F)F)C=2)N1CC)(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 7
  • Complexity: 654
  • XLogP3: 3.8
  • Topological Polar Surface Area: 82.5

3-[(4-CHLOROBENZYL)SULFONYL]-4-ETHYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOLE Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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Additional information on 3-[(4-CHLOROBENZYL)SULFONYL]-4-ETHYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOLE

3-[(4-Chlorobenzyl)sulfonylethyl]-4-ethyl-5-([3-(trifluoromethyl)phenoxy]methyl)-4H-1,2,4-triazole: A Comprehensive Overview

3-[(4-Chlorobenzyl)sulfonylethyl]-4-ethyl-5-([3-(trifluoromethyl)phenoxy]methyl)-4H-1,2,4-triazole (CAS No. 383146-74-5) is a highly specialized organic compound with a complex structure and diverse applications. This compound belongs to the class of triazoles, which are widely recognized for their stability and versatility in various chemical reactions. The molecule incorporates several functional groups, including a sulfonylethyl group, an ethyl substituent, and a phenoxy methyl group with a trifluoromethyl substitution. These features contribute to its unique chemical properties and make it a valuable compound in the fields of pharmaceuticals, agrochemicals, and advanced materials.

The sulfonylethyl group in the molecule plays a crucial role in enhancing its reactivity and solubility. Recent studies have shown that sulfonamide derivatives like this compound exhibit significant potential in drug design due to their ability to modulate enzyme activity and receptor binding. For instance, researchers have explored the use of such compounds in the development of kinase inhibitors, which are critical in cancer therapy. The trifluoromethyl phenoxy group further enhances the compound's stability and bioavailability, making it an attractive candidate for pharmaceutical applications.

In terms of synthesis, 383146-74-5 is typically prepared through multi-step reactions involving nucleophilic substitutions and coupling reactions. The incorporation of the trifluoromethyl phenoxy methyl group requires precise control over reaction conditions to ensure high yields and purity. Recent advancements in catalytic methods have enabled more efficient synthesis pathways, reducing production costs and environmental impact.

The compound's structure also lends itself well to applications in agrochemicals. Its ability to act as a fungicide or herbicide has been explored in several studies. For example, researchers have demonstrated that derivatives of this compound can effectively inhibit fungal growth without causing harm to crops. This property makes it a promising candidate for sustainable agricultural practices.

From a materials science perspective, 383146-74-5 has shown potential as a building block for advanced polymers and coatings. Its triazole ring provides excellent thermal stability and mechanical strength, while the substituents enhance its compatibility with various substrates. Recent research has focused on its use in self-healing materials, where its reactivity under specific conditions allows for dynamic bonding and repair mechanisms.

In conclusion, 383146-74-5 is a versatile compound with a wide range of applications across multiple industries. Its unique structure and functional groups make it an invaluable tool in drug discovery, agrochemical development, and materials science. As research continues to uncover new properties and uses for this compound, its significance in the chemical landscape is expected to grow further.

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