Cas no 1261981-44-5 (3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid)

3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid is a specialized organic compound featuring a benzoic acid core substituted with a chloro group and a dimethylsulfamoylphenyl moiety. This structure imparts unique physicochemical properties, making it valuable in pharmaceutical and agrochemical research. The dimethylsulfamoyl group enhances solubility and bioavailability, while the chloro substituent contributes to stability and reactivity. The compound is particularly useful as an intermediate in synthesizing biologically active molecules, including potential therapeutic agents. Its well-defined structure and purity ensure consistent performance in synthetic applications. Suitable for controlled reactions, it offers researchers a reliable building block for developing novel compounds with tailored functionalities.
3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid structure
1261981-44-5 structure
Product Name:3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid
CAS No:1261981-44-5
MF:C15H14ClNO4S
MW:339.793962001801
MDL:MFCD18322974
CID:5158416
Update Time:2026-03-04

3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 5-CHLORO-3-(3-N,N-DIMETHYLSULFAMOYLPHENYL)BENZOIC ACID
    • [1,1'-Biphenyl]-3-carboxylic acid, 5-chloro-3'-[(dimethylamino)sulfonyl]-
    • 3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid
    • MDL: MFCD18322974
    • Inchi: 1S/C15H14ClNO4S/c1-17(2)22(20,21)14-5-3-4-10(9-14)11-6-12(15(18)19)8-13(16)7-11/h3-9H,1-2H3,(H,18,19)
    • InChI Key: SHHXUNIATPOZPS-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(=O)O)C=C(C=1)C1=CC=CC(=C1)S(N(C)C)(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 502
  • XLogP3: 2.9
  • Topological Polar Surface Area: 83.1

3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB330253-5 g
5-Chloro-3-(3-N,N-dimethylsulfamoylphenyl)benzoic acid, 95%; .
1261981-44-5 95%
5g
€1159.00 2023-04-26
abcr
AB330253-5g
5-Chloro-3-(3-N,N-dimethylsulfamoylphenyl)benzoic acid, 95%; .
1261981-44-5 95%
5g
€1159.00 2025-04-21

Additional information on 3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid

3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid (CAS No. 1261981-44-5): A Comprehensive Overview

3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid (CAS No. 1261981-44-5) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This compound, characterized by its unique molecular structure, plays a crucial role in the development of novel therapeutic agents and advanced materials. Its chemical formula and molecular weight make it a valuable intermediate in synthetic chemistry, particularly in the design of sulfonamide-based drugs.

The compound's structure features a benzoic acid backbone substituted with a chloro group and a dimethylsulfamoylphenyl moiety. This combination of functional groups contributes to its distinct physicochemical properties, including solubility, stability, and reactivity. Researchers have explored its potential in various applications, such as enzyme inhibition and receptor modulation, making it a subject of interest in drug discovery and medicinal chemistry.

One of the key reasons for the growing interest in 3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid is its relevance to current pharmaceutical trends. With the rise of personalized medicine and targeted therapies, compounds like this are being investigated for their ability to interact with specific biological targets. Its sulfonamide group is particularly noteworthy, as sulfonamides are known for their antibacterial and anti-inflammatory properties, which align with the increasing demand for innovative therapeutic solutions.

In addition to its pharmaceutical applications, 3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid is also studied in the context of material science. Its molecular structure allows for potential use in the development of advanced polymers and functional materials. Researchers are particularly interested in how its electronic properties can be harnessed for applications in optoelectronics and sensors.

The synthesis of 3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid involves multi-step organic reactions, often starting from commercially available precursors. Key steps include chlorination, sulfonylation, and carboxylic acid formation. These processes require precise control of reaction conditions to ensure high yield and purity. The compound's synthetic route is a topic of interest for chemists aiming to optimize production methods for industrial-scale applications.

From a market perspective, the demand for 3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid is driven by its potential in drug development and material innovation. Pharmaceutical companies and research institutions are actively sourcing this compound for preclinical studies, contributing to its growing market value. Suppliers and manufacturers are focusing on improving synthesis scalability and cost-effectiveness to meet the increasing demand.

For researchers and industry professionals, understanding the safety profile of 3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid is essential. While it is not classified as a hazardous substance, standard laboratory precautions should be followed during handling and storage. Proper personal protective equipment (PPE) and ventilation are recommended to ensure safe usage in laboratory settings.

The future of 3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid looks promising, with ongoing research exploring its potential in new therapeutic areas and advanced materials. As the scientific community continues to uncover its properties and applications, this compound is expected to play a significant role in innovation-driven industries. Its versatility and unique structural features make it a valuable asset in the ever-evolving fields of chemistry and pharmaceutical sciences.

In summary, 3-Chloro-5-[3-(dimethylsulfamoyl)phenyl]benzoic acid (CAS No. 1261981-44-5) is a compound of high interest due to its diverse applications and scientific relevance. Whether in drug discovery, material science, or chemical synthesis, its potential continues to inspire researchers and industry leaders alike. As advancements in these fields progress, the significance of this compound is likely to grow, solidifying its place in modern scientific endeavors.

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