Cas no 808761-43-5 (3-(Aminomethyl)-N-methylbenzenesulfonamide)

3-(Aminomethyl)-N-methylbenzenesulfonamide is a sulfonamide derivative featuring both an aminomethyl and an N-methyl substituent on the benzene ring. This compound is of interest in synthetic and medicinal chemistry due to its versatile functional groups, which enable its use as a building block for more complex molecules. The presence of the sulfonamide moiety enhances its potential as a precursor for bioactive compounds, including enzyme inhibitors or pharmacophores. Its well-defined structure and reactivity make it suitable for applications in drug discovery and organic synthesis. The compound is typically handled under controlled conditions to ensure stability and purity, adhering to standard laboratory safety protocols.
3-(Aminomethyl)-N-methylbenzenesulfonamide structure
808761-43-5 structure
Product Name:3-(Aminomethyl)-N-methylbenzenesulfonamide
CAS No:808761-43-5
MF:C8H12N2O2S
MW:200.258080482483
CID:1028184
PubChem ID:16785597
Update Time:2025-05-26

3-(Aminomethyl)-N-methylbenzenesulfonamide Chemical and Physical Properties

Names and Identifiers

    • 3-(Aminomethyl)-N-methylbenzenesulfonamide
    • 3-Aminomethyl-N-methylbenzenesulfomide
    • 3-aminomethyl-N-methyl-benzenesulfonamide
    • 3-methylsulfamoylbenzylamine
    • 3-(aminomethyl)-N-methylbenzene-1-sulfonamide
    • CHEMBL4550011
    • MFCD09732338
    • SB78579
    • CS-0455867
    • EN300-37199
    • AKOS000141310
    • Z278051484
    • 808761-43-5
    • SCHEMBL1014348
    • SY177676
    • DTXSID60588470
    • FMVLDCBNRZZNPH-UHFFFAOYSA-N
    • DB-410241
    • G45210
    • MDL: MFCD09732338
    • Inchi: 1S/C8H12N2O2S/c1-10-13(11,12)8-4-2-3-7(5-8)6-9/h2-5,10H,6,9H2,1H3
    • InChI Key: FMVLDCBNRZZNPH-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=C(CN)C=1)(NC)(=O)=O

Computed Properties

  • Exact Mass: 200.06200
  • Monoisotopic Mass: 200.06194880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 245
  • 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: -0.8
  • Topological Polar Surface Area: 80.6?2

Experimental Properties

  • PSA: 80.57000
  • LogP: 2.22540

3-(Aminomethyl)-N-methylbenzenesulfonamide 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%

3-(Aminomethyl)-N-methylbenzenesulfonamide Pricemore >>

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Additional information on 3-(Aminomethyl)-N-methylbenzenesulfonamide

Comprehensive Overview of 3-(Aminomethyl)-N-methylbenzenesulfonamide (CAS No. 808761-43-5)

3-(Aminomethyl)-N-methylbenzenesulfonamide (CAS No. 808761-43-5) is a specialized sulfonamide derivative with significant potential in pharmaceutical and chemical research. This compound, characterized by its aminomethyl and N-methyl functional groups, has garnered attention for its unique structural properties and applications in drug discovery. Researchers are increasingly exploring its role as a building block for designing novel therapeutics, particularly in targeting enzymes and receptors involved in inflammatory and metabolic disorders.

The molecular structure of 3-(Aminomethyl)-N-methylbenzenesulfonamide features a benzenesulfonamide core, which is known for its bioactivity and versatility in medicinal chemistry. The presence of the aminomethyl group enhances its ability to interact with biological targets, making it a valuable candidate for structure-activity relationship (SAR) studies. Recent trends in AI-driven drug discovery have highlighted the importance of such compounds in virtual screening and molecular docking simulations, where their binding affinities can be computationally predicted.

In the context of green chemistry, 3-(Aminomethyl)-N-methylbenzenesulfonamide aligns with the growing demand for sustainable synthesis methods. Laboratories are optimizing its production using catalyst-free reactions and low-energy conditions to minimize environmental impact. This approach resonates with the broader industry shift toward eco-friendly intermediates, a topic frequently searched by professionals in pharmaceutical manufacturing and process chemistry.

Another area of interest is the compound's potential in central nervous system (CNS) research. The N-methyl moiety in 3-(Aminomethyl)-N-methylbenzenesulfonamide suggests possible blood-brain barrier permeability, a critical factor for neurotherapeutic development. Discussions on platforms like ResearchGate and PubMed often focus on such small-molecule modulators, reflecting the compound's relevance in tackling neurodegenerative diseases.

From a commercial perspective, suppliers of 808761-43-5 emphasize its high purity (>98%) and stability under standard storage conditions. These attributes make it suitable for high-throughput screening (HTS) and combinatorial chemistry applications. Searches for "buy 3-(Aminomethyl)-N-methylbenzenesulfonamide" often lead to inquiries about bulk pricing and custom synthesis services, underscoring its demand in both academic and industrial settings.

In summary, 3-(Aminomethyl)-N-methylbenzenesulfonamide (CAS No. 808761-43-5) represents a multifaceted compound with applications spanning drug design, green chemistry, and neuroscience. Its structural features and adaptability to modern research methodologies position it as a noteworthy subject in contemporary chemical literature.

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