Cas no 13029-71-5 (2-(4-fluorobenzenesulfonamido)acetic acid)

2-(4-Fluorobenzenesulfonamido)acetic acid is a fluorinated sulfonamide derivative with applications in organic synthesis and pharmaceutical research. Its structure features a 4-fluorobenzenesulfonyl group linked to a glycine moiety, offering reactivity for further functionalization. The fluorine substituent enhances electronic properties, potentially improving binding affinity in bioactive compounds. This compound is useful as an intermediate in the development of sulfonamide-based drugs, enzyme inhibitors, or agrochemicals. It exhibits stability under standard conditions and is soluble in polar organic solvents, facilitating synthetic workflows. The sulfonamide group provides hydrogen-bonding capabilities, while the carboxylic acid enables conjugation or salt formation. Suitable for controlled modifications, it serves as a versatile building block in medicinal chemistry and material science applications.
2-(4-fluorobenzenesulfonamido)acetic acid structure
13029-71-5 structure
Product Name:2-(4-fluorobenzenesulfonamido)acetic acid
CAS No:13029-71-5
MF:C8H8FNO4S
MW:233.216824531555
MDL:MFCD02091617
CID:1073849
PubChem ID:730269
Update Time:2025-11-02

2-(4-fluorobenzenesulfonamido)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Fluorophenylsulfonamido)acetic acid
    • 2-([(4-FLUOROPHENYL)SULFONYL]AMINO)ACETIC ACID
    • 2-[(4-fluorophenyl)sulfonylamino]acetic acid
    • 2-{[(4-Fluorophenyl)sulfonyl]amino}acetic acid
    • ([(4-FLUOROPHENYL)SULFONYL]AMINO)ACETIC ACID
    • (4-fluoro-benzenesulfonylamino)-acetic acid
    • {[(4-fluorophenyl)sulfonyl]amino}acetic acid
    • 2-{[(4-Fluorophenyl)sulphonyl]amino}acetic acid
    • AC1LE4SC
    • F1475-0287
    • N-[(4-flourophenyl)sulphonyl]glycine
    • N-[(4-fluorophenyl)sulfonyl]-glycine
    • Oprea1_084857
    • SureCN2990778
    • AKOS BC-3152
    • BUTTPARK 31\07-81
    • 2-(4-fluorobenzenesulfonamido)acetic acid
    • CHEMBL287485
    • 2-(4-fluorophenylsulfonamido)aceticacid
    • SR-01000480133-1
    • Z45658549
    • (4-fluoro-benzenesulfonyl-amino)-acetic acid
    • STL480896
    • (4-FLUOROBENZENESULFONAMIDO)ACETIC ACID
    • XAEAUZAGDOXYIE-UHFFFAOYSA-N
    • J-506003
    • BDBM50016569
    • MLS000111789
    • N-[(4-fluorophenyl)sulfonyl]glycine
    • 13029-71-5
    • Oprea1_734496
    • AO-548/40815398
    • DTXSID80352615
    • 2-([(4-fluorophenyl)sulfonyl]amino)acetic acid, AldrichCPR
    • 9W-0322
    • HMS2402N08
    • SCHEMBL2990778
    • MFCD02091617
    • SMR000107708
    • EN300-10321
    • SR-01000480133
    • AKOS000264085
    • F1565-0011
    • 2-{[(4-Fluorophenyl)sulfonyl]amino}acetic acid (Bes(4-F)-Gly-OH)
    • MDL: MFCD02091617
    • Inchi: 1S/C8H8FNO4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
    • InChI Key: XAEAUZAGDOXYIE-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)F)(NCC(=O)O)(=O)=O

Computed Properties

  • Exact Mass: 233.01584
  • Monoisotopic Mass: 233.01580707g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • 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: 0.6
  • Topological Polar Surface Area: 91.8?2

Experimental Properties

  • Melting Point: 158-160°C
  • PSA: 83.47

2-(4-fluorobenzenesulfonamido)acetic acid Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

2-(4-fluorobenzenesulfonamido)acetic acid Pricemore >>

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2-(4-fluorobenzenesulfonamido)acetic acid Related Literature

Additional information on 2-(4-fluorobenzenesulfonamido)acetic acid

Comprehensive Guide to 2-(4-Fluorobenzenesulfonamido)acetic Acid (CAS No. 13029-71-5)

2-(4-Fluorobenzenesulfonamido)acetic acid (CAS No. 13029-71-5) is a specialized sulfonamide derivative with a wide range of applications in pharmaceutical and chemical research. This compound, characterized by its fluorinated aromatic ring and acetic acid moiety, has gained significant attention due to its potential in drug development and material science. In this article, we will explore its properties, synthesis, applications, and market trends, while addressing common queries from researchers and industry professionals.

The molecular structure of 2-(4-fluorobenzenesulfonamido)acetic acid features a 4-fluorophenyl group attached to a sulfonamide linkage, which is further connected to an acetic acid functional group. This unique arrangement contributes to its bioactivity and chemical versatility, making it valuable for designing enzyme inhibitors and bioactive molecules. Recent studies highlight its role in targeting carbonic anhydrase isoforms, a hot topic in cancer and glaucoma research.

In pharmaceutical applications, CAS 13029-71-5 serves as a key intermediate for synthesizing sulfonamide-based drugs. Its fluorine substitution enhances metabolic stability—a critical factor in drug design, as evidenced by its mention in recent AI-driven drug discovery publications. Researchers frequently search for "fluorinated sulfonamide derivatives" and "sulfonamide acetic acid applications," reflecting growing interest in this chemical space.

The synthesis of 2-(4-fluorobenzenesulfonamido)acetic acid typically involves the reaction between 4-fluorobenzenesulfonyl chloride and glycine derivatives, followed by purification. This process aligns with green chemistry principles—another trending topic—as newer methods focus on solvent-free conditions and catalytic optimization. Analytical techniques like HPLC and NMR are essential for quality control, addressing common quality assurance questions in the supply chain.

Beyond pharmaceuticals, this compound shows promise in agrochemical research, particularly in developing herbicide safeners. Its sulfonamide group interacts with plant enzymes, a mechanism explored in sustainable agriculture studies. Industry reports suggest rising demand for fluorine-containing agrochemicals, positioning 13029-71-5 as a compound to watch.

From a commercial perspective, 2-(4-fluorobenzenesulfonamido)acetic acid suppliers emphasize high-purity grades (>98%) for research applications. Market analysis reveals increased procurement for medicinal chemistry libraries, driven by pharmaceutical outsourcing trends. SEO data shows frequent searches for "buy 4-fluorobenzenesulfonamido acetic acid" and "CAS 13029-71-5 suppliers," indicating strong commercial interest.

Storage and handling recommendations for CAS 13029-71-5 include protection from moisture and storage at room temperature—details often requested in technical documentation. Safety data sheets highlight standard laboratory precautions, avoiding classification as hazardous under normal conditions, which facilitates global logistics.

Innovation opportunities surround this molecule, particularly in bioconjugation chemistry and proteolysis-targeting chimeras (PROTACs)—two cutting-edge areas in drug development. Its carboxylic acid group enables diverse derivatization, a feature exploited in recent covalent inhibitor designs published in top chemistry journals.

For researchers investigating structure-activity relationships (SAR), 2-(4-fluorobenzenesulfonamido)acetic acid offers a versatile scaffold. Computational chemistry studies using molecular docking frequently incorporate this structure to explore protein-ligand interactions, addressing common queries about sulfonamide binding motifs.

In conclusion, 2-(4-fluorobenzenesulfonamido)acetic acid (CAS No. 13029-71-5) represents an important building block in modern chemistry. Its applications span from drug discovery to agricultural science, supported by ongoing research into fluorinated compounds. As the pharmaceutical industry continues to value sulfonamide chemistry, this compound maintains relevance in both academic and industrial settings.

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