Cas no 1016528-39-4 (3-amino-N-butyl-N-methylbenzene-1-sulfonamide)

3-Amino-N-butyl-N-methylbenzene-1-sulfonamide is a sulfonamide derivative characterized by its amino and alkyl-substituted aromatic structure. This compound is of interest in organic synthesis and pharmaceutical research due to its potential as an intermediate in the development of bioactive molecules. The presence of both amino and sulfonamide functional groups enhances its reactivity, enabling selective modifications for targeted applications. Its butyl and methyl substituents contribute to improved solubility in organic solvents, facilitating its use in various reaction conditions. The compound's structural features make it a versatile building block for designing sulfonamide-based compounds with potential pharmacological or agrochemical relevance. Proper handling and storage are recommended due to its reactive functional groups.
3-amino-N-butyl-N-methylbenzene-1-sulfonamide structure
1016528-39-4 structure
Product Name:3-amino-N-butyl-N-methylbenzene-1-sulfonamide
CAS No:1016528-39-4
MF:C11H18N2O2S
MW:242.337821483612
MDL:MFCD09803439
CID:4566842
PubChem ID:20119059
Update Time:2025-11-06

3-amino-N-butyl-N-methylbenzene-1-sulfonamide Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide, 3-amino-N-butyl-N-methyl-
    • 3-Amino-N-butyl-N-methylbenzene-1-sulfonamide
    • 3-amino-N-butyl-N-methylbenzene-1-sulfonamide
    • MDL: MFCD09803439
    • Inchi: 1S/C11H18N2O2S/c1-3-4-8-13(2)16(14,15)11-7-5-6-10(12)9-11/h5-7,9H,3-4,8,12H2,1-2H3
    • InChI Key: VTGVFUXEOWKYOB-UHFFFAOYSA-N
    • SMILES: C1(S(N(CCCC)C)(=O)=O)=CC=CC(N)=C1

Computed Properties

  • Exact Mass: 242.108899g/mol
  • Monoisotopic Mass: 242.108899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 298
  • 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
  • Molecular Weight: 242.34g/mol
  • XLogP3: 1.6
  • Topological Polar Surface Area: 71.8?2

3-amino-N-butyl-N-methylbenzene-1-sulfonamide Pricemore >>

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Additional information on 3-amino-N-butyl-N-methylbenzene-1-sulfonamide

3-Amino-N-butyl-N-methylbenzene-1-sulfonamide (CAS No. 1016528-39-4): A Comprehensive Overview

3-Amino-N-butyl-N-methylbenzene-1-sulfonamide, identified by the CAS registry number 1016528-39-4, is a compound of significant interest in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which combines an aromatic benzene ring with a sulfonamide group and an aminoalkyl substituent. The presence of these functional groups imparts versatile chemical properties, making it a valuable molecule for various applications.

The molecular structure of 3-amino-N-butyl-N-methylbenzene-1-sulfonamide consists of a benzene ring substituted at the 1-position with a sulfonamide group (-SO?NH). The amino group (-NH?) is attached at the 3-position of the benzene ring, while the sulfonamide nitrogen is further substituted with a butyl and methyl group. This combination of functional groups provides the molecule with both nucleophilic and electrophilic sites, enabling it to participate in a wide range of chemical reactions. Recent studies have highlighted its potential as a building block in the synthesis of advanced materials, including polymers and pharmaceutical agents.

One of the most notable aspects of this compound is its role in drug discovery. The sulfonamide group is known to exhibit bioisosteric properties, making it a promising candidate for replacing other functional groups in drug molecules without significantly altering their pharmacokinetic profiles. Recent research has explored its use as a scaffold for developing inhibitors of various enzymes, including kinases and proteases. For instance, studies published in 2023 have demonstrated that derivatives of 3-amino-N-butyl-N-methylbenzene-1-sulfonamide can effectively inhibit the activity of certain oncogenic kinases, suggesting potential applications in cancer therapy.

In addition to its pharmaceutical applications, 3-amino-N-butyl-N-methylbenzene-1-sulfonamide has also found utility in materials science. Its ability to form stable covalent bonds makes it an ideal candidate for synthesizing high-performance polymers. Researchers have reported that incorporating this compound into polymer networks can significantly enhance their mechanical properties, such as tensile strength and flexibility. Furthermore, its ability to undergo click chemistry reactions has opened new avenues for constructing stimuli-responsive materials, which can respond to external stimuli like temperature or pH changes.

The synthesis of 3-amino-N-butyl-N-methylbenzene-1-sulfonamide typically involves multi-step processes that require precise control over reaction conditions. A common approach involves the nucleophilic substitution of an appropriate benzene sulfonate precursor with an amine derivative. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing production costs and minimizing environmental impact. These improvements have made the compound more accessible for large-scale applications.

From an environmental perspective, understanding the degradation pathways of 3-amino-N-butyl-N-methylbenzene-1-sulfonamide is crucial for assessing its potential ecological impact. Studies have shown that under aerobic conditions, the compound undergoes microbial degradation via hydrolysis and oxidation mechanisms. However, further research is needed to evaluate its persistence in different environmental compartments and to develop strategies for mitigating any adverse effects.

In conclusion, 3-amino-N-butyl-N-methylbenzene-1-sulfonamide (CAS No. 1016528-39-4) stands out as a versatile compound with diverse applications across multiple disciplines. Its unique chemical structure, combined with recent advancements in synthetic methodologies and material science, positions it as a key player in future innovations. As research continues to uncover new potentials for this compound, it is likely to play an increasingly important role in both academic and industrial settings.

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