Cas no 89840-91-5 (N-ethyl-4-methyl-2-nitrobenzene-1-sulfonamide)

N-Ethyl-4-methyl-2-nitrobenzene-1-sulfonamide is a specialized sulfonamide derivative characterized by its nitro and ethyl substituents on a methylated benzene ring. This compound is primarily utilized in organic synthesis as an intermediate for the development of pharmaceuticals, agrochemicals, and fine chemicals. Its nitro group enhances reactivity in substitution and reduction reactions, while the sulfonamide moiety provides stability and versatility in further functionalization. The ethyl and methyl groups influence solubility and steric properties, making it suitable for selective transformations. This compound is valued for its consistent purity, well-defined structure, and applicability in constructing complex molecular frameworks under controlled conditions.
N-ethyl-4-methyl-2-nitrobenzene-1-sulfonamide structure
89840-91-5 structure
Product Name:N-ethyl-4-methyl-2-nitrobenzene-1-sulfonamide
CAS No:89840-91-5
MF:C9H12N2O4S
MW:244.267580986023
CID:587494
PubChem ID:71326471
Update Time:2025-10-29

N-ethyl-4-methyl-2-nitrobenzene-1-sulfonamide Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide, N-ethyl-4-methyl-2-nitro-
    • N-ethyl-4-methyl-2-nitrobenzenesulfonamide
    • N-ethyl-4-methyl-2-nitrobenzene-1-sulfonamide
    • 89840-91-5
    • EN300-1452949
    • DTXSID20755661
    • Inchi: 1S/C9H12N2O4S/c1-3-10-16(14,15)9-5-4-7(2)6-8(9)11(12)13/h4-6,10H,3H2,1-2H3
    • InChI Key: SPWQUIGXXICJDA-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1[N+](=O)[O-])(NCC)(=O)=O

Computed Properties

  • Exact Mass: 244.05177804g/mol
  • Monoisotopic Mass: 244.05177804g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 344
  • 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: 1.7
  • Topological Polar Surface Area: 100?2

N-ethyl-4-methyl-2-nitrobenzene-1-sulfonamide Pricemore >>

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Additional information on N-ethyl-4-methyl-2-nitrobenzene-1-sulfonamide

N-Ethyl-4-Methyl-2-Nitrobenzene-1-Sulfonamide (CAS No. 89840-91-5): A Comprehensive Overview

The compound N-Ethyl-4-Methyl-2-Nitrobenzene-1-Sulfonamide (CAS No. 89840-91-5) is a significant organic compound with diverse applications in various fields of chemistry and materials science. This compound, characterized by its unique structure, has garnered attention due to its potential in drug development, material synthesis, and environmental chemistry. In this article, we delve into the properties, applications, and recent advancements associated with this compound.

Chemical Structure and Properties: The molecular structure of N-Ethyl-4-Methyl-2-Nitrobenzene-1-Sulfonamide consists of a benzene ring substituted with a sulfonamide group at position 1, a nitro group at position 2, and an ethyl group at position 4. This arrangement imparts the compound with distinct electronic and steric properties. The sulfonamide group is known for its stability and ability to form hydrogen bonds, making it a valuable functional group in pharmaceuticals. The nitro group introduces electron-withdrawing effects, enhancing the compound's reactivity in certain chemical reactions. Recent studies have explored the influence of these substituents on the compound's spectroscopic properties, providing insights into its potential for use in sensors and imaging agents.

Applications in Drug Development: One of the most promising applications of N-Ethyl-4-Methyl-2-Nitrobenzene-1-Sulfonamide lies in the field of pharmacology. Researchers have investigated its role as an intermediate in the synthesis of bioactive compounds, particularly those targeting enzyme inhibition and receptor modulation. For instance, studies have shown that derivatives of this compound exhibit potent inhibitory activity against kinases, which are crucial targets in cancer therapy. Additionally, its sulfonamide group facilitates bioisosteric replacements, enabling the design of more effective drug candidates with improved pharmacokinetic profiles.

Synthesis and Characterization: The synthesis of N-Ethyl-4-Methyl-2-Nitrobenzene-1-Sulfonamide involves a multi-step process that typically begins with the nitration of a benzene derivative followed by sulfonation and subsequent substitution reactions. Recent advancements in catalytic methods have streamlined these processes, reducing production costs and enhancing yield. High-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy are commonly employed to characterize the compound, ensuring its purity and structural integrity.

Environmental Impact and Safety: As industries increasingly prioritize sustainability, understanding the environmental impact of chemicals like N-Ethyl-4-Methyl-2-Nitrobenzene-1-Sulfonamide is crucial. Studies have evaluated its biodegradation potential under various conditions, revealing moderate rates of breakdown under aerobic conditions. Furthermore, toxicity assessments indicate that while the compound exhibits low acute toxicity to aquatic organisms, long-term exposure effects require further investigation. These findings underscore the importance of responsible handling and disposal practices in industrial settings.

Future Directions: The ongoing research into N-Ethyl-4-Methyl-2-Nitrobenzene

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