CAS 79094-22-7

4-[2-[(Methylsulfonyl)amino]ethyl]benzoic acid

Description:

4-[2-[(Methylsulfonyl)amino]ethyl]benzoic acid, with the CAS number 79094-22-7, is an organic compound characterized by its benzoic acid structure substituted with a methylsulfonylamino group. This compound features a benzoic acid moiety, which contributes to its acidity and potential for forming salts or esters. The methylsulfonyl group enhances its solubility in polar solvents and may influence its biological activity. The presence of the amino group suggests potential for hydrogen bonding, which can affect its interactions in biological systems. This compound may exhibit properties such as anti-inflammatory or analgesic effects, making it of interest in pharmaceutical research. Its molecular structure allows for various functional group interactions, which can be exploited in drug design or synthesis. Overall, 4-[2-[(Methylsulfonyl)amino]ethyl]benzoic acid is a versatile compound with potential applications in medicinal chemistry and related fields.

Formula: C₁₀H₁₃NO₄S

InChI: InChI=1S/C10H13NO4S/c1-16(14,15)11-7-6-8-2-4-9(5-3-8)10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)

InChI key: InChIKey=WYIOCTBMAODUCE-UHFFFAOYSA-N

SMILES: C(CNS(C)(=O)=O)C1=CC=C(C(O)=O)C=C1

Synonyms:

• 4-[2-[(Methylsulfonyl)amino]ethyl]benzoic acid
• Benzoic acid, 4-[2-[(methylsulfonyl)amino]ethyl]-