Cas no 808761-44-6 (3-(aminomethyl)-N-ethylbenzene-1-sulfonamide)

3-(Aminomethyl)-N-ethylbenzene-1-sulfonamide is a sulfonamide derivative featuring both an aminomethyl and an ethyl-substituted sulfonamide functional group. This compound is of interest in medicinal and synthetic chemistry due to its versatile reactivity, particularly as a building block for the development of pharmacologically active molecules. The presence of the aminomethyl group allows for further functionalization, while the sulfonamide moiety contributes to potential biological activity, such as enzyme inhibition. Its well-defined structure and stability make it suitable for research applications in drug discovery and organic synthesis. The compound is typically handled under controlled conditions to ensure purity and consistency in experimental outcomes.
3-(aminomethyl)-N-ethylbenzene-1-sulfonamide structure
808761-44-6 structure
Product Name:3-(aminomethyl)-N-ethylbenzene-1-sulfonamide
CAS No:808761-44-6
MF:C9H14N2O2S
MW:214.284660816193
MDL:MFCD09732932
CID:2737003
PubChem ID:16786186
Update Time:2025-05-20

3-(aminomethyl)-N-ethylbenzene-1-sulfonamide Chemical and Physical Properties

Names and Identifiers

    • 3-(aminomethyl)-N-ethylbenzene-1-sulfonamide
    • AKOS000140672
    • EN300-251789
    • DB-410240
    • 3-(AMINOMETHYL)-N-ETHYLBENZENESULFONAMIDE
    • SCHEMBL4615715
    • 808761-44-6
    • MDL: MFCD09732932
    • Inchi: 1S/C9H14N2O2S/c1-2-11-14(12,13)9-5-3-4-8(6-9)7-10/h3-6,11H,2,7,10H2,1H3
    • InChI Key: AMCVADKBFBXXFL-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=C(CN)C=1)(NCC)(=O)=O

Computed Properties

  • Exact Mass: 214.07759887Da
  • Monoisotopic Mass: 214.07759887Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 258
  • 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: 0.1
  • Topological Polar Surface Area: 80.6?2

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Additional information on 3-(aminomethyl)-N-ethylbenzene-1-sulfonamide

Professional Introduction to 3-(aminomethyl)-N-ethylbenzene-1-sulfonamide (CAS No. 808761-44-6)

3-(aminomethyl)-N-ethylbenzene-1-sulfonamide is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and biochemistry due to its unique structural and functional properties. With the CAS number 808761-44-6, this compound represents a fascinating molecule that combines an amine group, an ethyl substituent, and a sulfonamide moiety, making it a versatile candidate for various applications in drug discovery and molecular research.

The< strong>structure of 3-(aminomethyl)-N-ethylbenzene-1-sulfonamide is characterized by a benzene ring substituted with both an amine and a sulfonamide group. The presence of these functional groups imparts specific chemical reactivity and biological activity, which have been explored in recent years. The benzene ring itself is a common scaffold in medicinal chemistry, known for its stability and ability to interact with biological targets through hydrophobic and π-stacking interactions.

In the realm of pharmaceutical research, the< strong>amine group in 3-(aminomethyl)-N-ethylbenzene-1-sulfonamide plays a crucial role in modulating the compound's pharmacokinetic properties. Amines are well-known for their ability to form hydrogen bonds, which can enhance binding affinity to biological receptors. This property makes the compound a promising candidate for developing new therapeutic agents targeting various diseases.

The< strong>sulfonamide moiety is another key feature of this compound that contributes to its potential biological activity. Sulfonamides are widely recognized for their antimicrobial, anti-inflammatory, and anticancer properties. They interact with enzymes and receptors by forming stable covalent bonds, often leading to potent inhibition of target molecules. The incorporation of a sulfonamide group into the benzene ring structure of 3-(aminomethyl)-N-ethylbenzene-1-sulfonamide suggests that it may exhibit similar therapeutic effects.

Recent studies have highlighted the< strong>pharmacological potential of derivatives similar to 3-(aminomethyl)-N-ethylbenzene-1-sulfonamide. Researchers have been exploring modifications to the benzene ring and functional groups to optimize biological activity and reduce potential side effects. For instance, studies have shown that substituting the amine group with different alkyl or aryl groups can significantly alter the compound's interaction with biological targets. Similarly, variations in the sulfonamide moiety can enhance or diminish its pharmacological effects.

The< strong>synthesis of 3-(aminomethyl)-N-ethylbenzene-1-sulfonamide involves multi-step organic reactions that require precise control over reaction conditions. The process typically begins with the functionalization of the benzene ring followed by the introduction of the amine and sulfonamide groups. Advanced synthetic techniques such as palladium-catalyzed cross-coupling reactions have been employed to achieve high yields and purity levels. These methods ensure that the final product meets the stringent requirements for pharmaceutical applications.

In addition to its pharmaceutical applications, 3-(aminomethyl)-N-ethylbenzene-1-sulfonamide has shown promise in other areas of research. Its unique structure makes it a valuable tool for studying molecular interactions in biochemistry. Researchers have utilized this compound as a ligand in enzyme inhibition studies, where it has demonstrated the ability to bind to specific enzymes and modulate their activity. This has opened up new avenues for understanding enzyme function and developing novel inhibitors.

The< strong>biological activity of 3-(aminomethyl)-N-ethylbenzene-1-sulfonamide has also been investigated in preclinical models. Initial studies have revealed potential therapeutic effects against various diseases, including cancer and inflammatory disorders. These findings have prompted further research into optimizing the compound's structure for better efficacy and safety profiles. Collaborative efforts between chemists, biologists, and pharmacologists are essential in translating these findings into clinical applications.

The< strong>toxicological profile of 3-(aminomethyl)-N-ethylbenzene-1-sulfonamide is another critical aspect that needs thorough evaluation before any clinical use. Comprehensive toxicology studies are conducted to assess its safety margins, potential side effects, and long-term effects on human health. These studies involve in vitro assays using cell cultures and in vivo experiments using animal models to gather comprehensive data on its toxicity profile.

In conclusion, 3-(aminomethyl)-N-ethylbenzene-1-sulfonamide (CAS No. 808761-44-6) is a multifaceted compound with significant potential in pharmaceutical research and development. Its unique structural features, including the presence of an amine group, an ethyl substituent, and a sulfonamide moiety, make it a promising candidate for drug discovery targeting various diseases. Ongoing research efforts are focused on optimizing its structure for enhanced biological activity while ensuring safety through rigorous toxicological evaluations.

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