Cas no 866997-46-8 (3-methyl-4-sulfamoylbenzoic Acid)

3-Methyl-4-sulfamoylbenzoic acid is a sulfonamide derivative with a carboxylic acid functional group, making it a versatile intermediate in organic synthesis and pharmaceutical applications. Its molecular structure, featuring both sulfamoyl and carboxyl moieties, allows for selective reactivity in medicinal chemistry, particularly in the development of enzyme inhibitors and bioactive compounds. The compound exhibits stability under standard conditions and is soluble in polar organic solvents, facilitating its use in various reaction schemes. Its well-defined chemical properties make it suitable for precise modifications, enabling researchers to explore structure-activity relationships in drug discovery. The presence of the sulfamoyl group also enhances its potential as a precursor for sulfonamide-based therapeutics.
3-methyl-4-sulfamoylbenzoic Acid structure
866997-46-8 structure
Product Name:3-methyl-4-sulfamoylbenzoic Acid
CAS No:866997-46-8
MF:C8H9NO4S
MW:215.226361036301
CID:3041215
PubChem ID:50987631
Update Time:2025-05-21

3-methyl-4-sulfamoylbenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-methyl-4-sulfamoyl-benzoic acid
    • 3-Methyl-4-sulfamoyl-benzoesaeure;
    • RJB99746
    • 831-021-0
    • G26728
    • 3-methyl-4-sulfamoylbenzoic acid
    • 866997-46-8
    • EN300-72407
    • CS-0259123
    • AKOS033199741
    • SCHEMBL1050351
    • 3-methyl-4-sulfamoylbenzoicacid
    • 4-(Aminosulfonyl)-3-methylbenzoic acid
    • DB-137627
    • GS0923
    • Z1147513825
    • 3-methyl-4-sulfamoylbenzoic Acid
    • Inchi: 1S/C8H9NO4S/c1-5-4-6(8(10)11)2-3-7(5)14(9,12)13/h2-4H,1H3,(H,10,11)(H2,9,12,13)
    • InChI Key: NLJXDIBQKZNOFJ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C(=O)O)=CC=1C)(N)(=O)=O

Computed Properties

  • Exact Mass: 215.02500
  • Monoisotopic Mass: 215.02522894Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 319
  • 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: 0.4
  • Topological Polar Surface Area: 106?2

Experimental Properties

  • PSA: 105.84000
  • LogP: 2.12170

3-methyl-4-sulfamoylbenzoic Acid Pricemore >>

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Additional information on 3-methyl-4-sulfamoylbenzoic Acid

Research Briefing on 3-methyl-4-sulfamoylbenzoic Acid (CAS: 866997-46-8) in Chemical Biology and Pharmaceutical Applications

3-methyl-4-sulfamoylbenzoic Acid (CAS: 866997-46-8) has emerged as a compound of significant interest in the field of chemical biology and pharmaceutical research. This sulfonamide derivative is being investigated for its potential applications in drug development, particularly as a building block for novel therapeutic agents. Recent studies have highlighted its role in the synthesis of enzyme inhibitors and its interactions with biological targets, making it a valuable candidate for further exploration.

In the context of recent advancements, researchers have focused on the structural and functional properties of 3-methyl-4-sulfamoylbenzoic Acid. Its sulfamoyl group and carboxylic acid moiety provide unique reactivity, enabling its use in the design of small-molecule inhibitors. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its efficacy as a scaffold for carbonic anhydrase inhibitors, showcasing its potential in treating conditions such as glaucoma and epilepsy. The study utilized X-ray crystallography to elucidate the binding interactions of derivatives of 3-methyl-4-sulfamoylbenzoic Acid with the target enzyme.

Another area of active research involves the pharmacokinetic properties of 3-methyl-4-sulfamoylbenzoic Acid. A preclinical study conducted in 2024 evaluated its metabolic stability and bioavailability, revealing favorable absorption characteristics in rodent models. These findings suggest that derivatives of this compound could be optimized for oral administration, addressing a key challenge in drug development. Furthermore, computational modeling has been employed to predict the ADME (Absorption, Distribution, Metabolism, and Excretion) profiles of its analogs, providing insights for future structural modifications.

The synthetic pathways for 3-methyl-4-sulfamoylbenzoic Acid have also been refined in recent years. A 2023 publication in Organic Process Research & Development detailed an efficient, scalable synthesis route with improved yield and purity. This advancement is critical for ensuring the compound's availability for large-scale pharmaceutical applications. Additionally, green chemistry approaches have been explored to minimize environmental impact during production, aligning with the industry's growing emphasis on sustainability.

In conclusion, 3-methyl-4-sulfamoylbenzoic Acid (CAS: 866997-46-8) represents a promising compound with diverse applications in drug discovery and development. Its structural versatility, coupled with recent breakthroughs in its synthesis and biological evaluation, positions it as a valuable tool for researchers. Future studies are expected to explore its potential in targeting additional disease pathways and optimizing its therapeutic efficacy. The ongoing research underscores the importance of this compound in advancing the field of chemical biology and pharmaceutical sciences.

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