Cas no 22952-19-8 (2-methyl-4-nitrobenzene-1-sulfonamide)

2-methyl-4-nitrobenzene-1-sulfonamide structure
22952-19-8 structure
Product Name:2-methyl-4-nitrobenzene-1-sulfonamide
CAS No:22952-19-8
MF:C7H8N2O4S
MW:216.214420318604
CID:281575
PubChem ID:309800
Update Time:2025-04-24

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

Names and Identifiers

    • Benzenesulfonamide,2-methyl-4-nitro-
    • 2-methyl-4-nitrobenzenesulfonamide
    • 2-methyl-4-nitrobenzene-1-sulfonamide
    • 2-methyl-4-nitro-benzenesulfonamide
    • 2-Methyl-4-nitrobenzolsulfonamid
    • 2-Methyl-4-nitro-benzolsulfonsaeure-amid
    • 2-Methyl-4-nitrobenzolsulfonylamid
    • 5-nitro-toluene-2-sulfonic acid amide
    • 5-Nitro-toluol-2-sulfonsaeure-amid
    • 5-Nitro-toluol-sulfonsaeure-(2)-amid
    • AC1L7FV1
    • AC1Q2EJB
    • CTK6B5410
    • HMS545B17
    • Maybridge1_001271
    • NSC212234
    • Oprea1_710638
    • SureCN526905
    • T6495749
    • SCHEMBL526905
    • GS0918
    • NSC-212234
    • EN300-51040
    • DTXSID20309527
    • AKOS008124296
    • Z385450628
    • 22952-19-8
    • 2-methyl--4-nitrobenzenesulfonamide
    • Inchi: 1S/C7H8N2O4S/c1-5-4-6(9(10)11)2-3-7(5)14(8,12)13/h2-4H,1H3,(H2,8,12,13)
    • InChI Key: KVRWKUUAOATUGG-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1C)[N+](=O)[O-])(N)(=O)=O

Computed Properties

  • Exact Mass: 216.02054
  • Monoisotopic Mass: 216.02
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 316
  • 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: 0.7
  • Topological Polar Surface Area: 114?2

Experimental Properties

  • Density: 1.475
  • Boiling Point: 432.7°Cat760mmHg
  • Flash Point: 215.5°C
  • Refractive Index: 1.596
  • PSA: 103.3
  • LogP: 2.85490

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

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2-methyl-4-nitrobenzene-1-sulfonamide Related Literature

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

Benzenesulfonamide, 2-methyl-4-nitro-

The compound with CAS No. 22952-19-8, commonly referred to as Benzenesulfonamide, 2-methyl-4-nitro-, is a significant molecule in the field of organic chemistry. This compound is characterized by its unique structure, which includes a benzenesulfonamide group and specific substituents at the 2-methyl and 4-nitro positions. These features make it a subject of interest in various research areas, including pharmaceuticals, agrochemicals, and material science.

Recent studies have highlighted the potential of Benzenesulfonamide, 2-methyl-4-nitro- in drug discovery. Researchers have explored its role as a scaffold for developing new bioactive compounds. The benzenesulfonamide group is known for its ability to enhance the solubility and stability of molecules, which are critical properties for drug candidates. Additionally, the 2-methyl and 4-nitro substituents contribute to the molecule's electronic and steric properties, making it versatile for various applications.

In the context of agrochemicals, Benzenesulfonamide, 2-methyl-4-nitro- has been investigated for its potential as a herbicide or fungicide. The nitro group at the 4-position is particularly interesting due to its electron-withdrawing effects, which can influence the reactivity of the molecule. This makes it a promising candidate for designing compounds with enhanced pesticidal activity while maintaining environmental safety.

From a material science perspective, this compound has been studied for its role in polymer chemistry. The benzenesulfonamide group can act as a cross-linking agent or a functional group for surface modification. This property has led to its exploration in developing advanced materials with tailored mechanical and chemical properties.

One of the most recent advancements involving Benzenesulfonamide, 2-methyl-4-nitro- is its use in click chemistry reactions. Researchers have demonstrated that this compound can serve as a versatile building block for constructing complex molecules through efficient and selective reactions. This approach not only simplifies synthesis but also enhances the scalability of producing bioactive compounds.

In terms of synthesis, Benzenesulfonamide, 2-methyl-4-nitro- can be prepared via several routes, including nucleophilic aromatic substitution and coupling reactions. The choice of synthesis method depends on the desired purity and yield. Recent studies have focused on optimizing these methods to improve efficiency and reduce environmental impact.

The application of computational chemistry tools has further expanded our understanding of this compound's properties. Molecular modeling studies have provided insights into its electronic structure, reactivity, and potential interactions with biological targets. These findings are crucial for guiding experimental efforts and accelerating drug discovery processes.

In conclusion, Benzenesulfonamide, 2-methyl-4-nitro- (CAS No. 22952-19-8) is a multifaceted compound with diverse applications across various scientific disciplines. Its unique structure and functional groups make it an invaluable tool in modern chemistry research. As ongoing studies continue to uncover new potentials for this compound, it is poised to play an even greater role in advancing scientific innovation.

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