Cas no 1261955-89-8 (2-chloro-5-[3-(methanesulfonamido)phenyl]benzoic Acid)

2-Chloro-5-[3-(methanesulfonamido)phenyl]benzoic acid is a versatile intermediate in organic synthesis, particularly valued for its functionalized aromatic structure. The compound features a chloro-substituted benzoic acid core linked to a methanesulfonamido-phenyl group, offering distinct reactivity for further derivatization. Its sulfonamide moiety enhances solubility and provides a handle for selective modifications, while the carboxylic acid group allows for coupling or salt formation. This structural combination makes it useful in pharmaceutical and agrochemical research, where precise molecular tuning is critical. The compound’s stability under standard conditions and compatibility with common synthetic protocols further contribute to its utility as a building block in complex molecule assembly.
2-chloro-5-[3-(methanesulfonamido)phenyl]benzoic Acid structure
1261955-89-8 structure
Product Name:2-chloro-5-[3-(methanesulfonamido)phenyl]benzoic Acid
CAS No:1261955-89-8
MF:C14H12ClNO4S
MW:325.767381668091
MDL:MFCD18322726
CID:1219286
PubChem ID:53228545
Update Time:2025-05-22

2-chloro-5-[3-(methanesulfonamido)phenyl]benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-5-[3-(methanesulfonamido)phenyl]benzoic Acid
    • 2-Chloro-5-(3-methylsulfonylaminophenyl)benzoic acid, 95%
    • 2-CHLORO-5-(3-METHYLSULFONYLAMINOPHENYL)BENZOIC ACID
    • DTXSID30692078
    • 4-Chloro-3'-[(methanesulfonyl)amino][1,1'-biphenyl]-3-carboxylic acid
    • MFCD18322726
    • 1261955-89-8
    • MDL： MFCD18322726
    • Inchi： 1S/C14H12ClNO4S/c1-21(19,20)16-11-4-2-3-9(7-11)10-5-6-13(15)12(8-10)14(17)18/h2-8,16H,1H3,(H,17,18)
    • InChI Key： KTBHUXOULAMDMU-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=CC=1C(=O)O)C1=CC=CC(=C1)NS(C)(=O)=O

Computed Properties

  • Exact Mass: 325.0175567g/mol
  • Monoisotopic Mass: 325.0175567g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 476
  • 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: 2.7
  • Topological Polar Surface Area: 91.8?2

2-chloro-5-[3-(methanesulfonamido)phenyl]benzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB330003-5 g
2-Chloro-5-(3-methylsulfonylaminophenyl)benzoic acid, 95%; .
 1261955-89-8 95%
5g
 €1159.00 2023-04-26
abcr
AB330003-5g
2-Chloro-5-(3-methylsulfonylaminophenyl)benzoic acid, 95%; .
 1261955-89-8 95%
5g
 €1159.00 2025-04-21

2-chloro-5-[3-(methanesulfonamido)phenyl]benzoic Acid Related Literature

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Additional information on 2-chloro-5-[3-(methanesulfonamido)phenyl]benzoic Acid

2-Chloro-5-[3-(Methanesulfonamido)Phenyl]Benzoic Acid: A Comprehensive Overview

2-Chloro-5-[3-(Methanesulfonamido)Phenyl]Benzoic Acid, also known by its CAS No. 1261955-89-8, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound has garnered attention due to its unique structural properties and potential applications in drug development. The molecule combines a benzoic acid core with a chloro substituent and a methanesulfonamido group, creating a structure that exhibits intriguing chemical reactivity and biological activity.

The synthesis of 2-Chloro-5-[3-(Methanesulfonamido)Phenyl]Benzoic Acid involves a multi-step process that typically begins with the preparation of the benzoic acid derivative. Recent advancements in synthetic methodologies have enabled chemists to optimize the reaction conditions, leading to higher yields and improved purity. The introduction of the methanesulfonamido group is achieved through nucleophilic aromatic substitution, a reaction that requires precise control over steric and electronic factors to ensure selectivity.

One of the most notable aspects of this compound is its potential as a lead molecule in drug discovery. The benzoic acid moiety is a common structural element in many bioactive compounds, including antibiotics and anti-inflammatory agents. The presence of the methanesulfonamido group further enhances the compound's pharmacokinetic properties, such as solubility and bioavailability. Recent studies have explored the ability of this compound to inhibit specific enzymes involved in inflammatory pathways, suggesting its potential as an anti-inflammatory agent.

In addition to its pharmacological applications, 2-Chloro-5-[3-(Methanesulfonamido)Phenyl]Benzoic Acid has also been investigated for its role in materials science. The compound's ability to form stable crystal structures makes it a candidate for use in organic electronics and optoelectronic devices. Researchers have reported that the molecule exhibits interesting photophysical properties, which could be harnessed for applications in light-emitting diodes (LEDs) and solar cells.

The latest research on this compound has focused on its interaction with biological systems at the molecular level. Using advanced computational techniques, scientists have modeled the binding affinity of 2-Chloro-5-[3-(Methanesulfonamido)Phenyl]Benzoic Acid to various protein targets. These studies have provided valuable insights into the compound's mechanism of action and have guided further optimization efforts.

In conclusion, 2-Chloro-5-[3-(Methanesulfonamido)Phenyl]Benzoic Acid, with its CAS No. 1261955-89-8, represents a promising compound with diverse applications across multiple scientific disciplines. Its unique structure, combined with recent advancements in synthetic and analytical techniques, positions it as a key player in future research and development endeavors.

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