CAS 790681-75-3

4-[[(2-Methoxy-1-methylethyl)amino]sulfonyl]benzoic acid

Description:

4-[[(2-Methoxy-1-methylethyl)amino]sulfonyl]benzoic acid, identified by its CAS number 790681-75-3, is a chemical compound characterized by its sulfonamide functional group and a carboxylic acid moiety. This compound features a benzoic acid backbone, which is substituted at the para position with a sulfonamide group that contains a methoxy and isopropylamine substituent. The presence of the methoxy group enhances its solubility and may influence its biological activity. The sulfonamide group is known for its role in medicinal chemistry, often contributing to the pharmacological properties of compounds. This substance may exhibit properties such as moderate to high polarity due to the presence of both the sulfonyl and carboxylic acid groups, which can engage in hydrogen bonding. Its potential applications could span various fields, including pharmaceuticals, where it may serve as a lead compound for drug development or as a biochemical probe. However, specific biological activities and safety profiles would require further investigation through empirical studies.

Formula: C₁₁H₁₅NO₅S

InChI: InChI=1S/C11H15NO5S/c1-8(7-17-2)12-18(15,16)10-5-3-9(4-6-10)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)

InChI key: InChIKey=MBNQQTANBNSZCZ-UHFFFAOYSA-N

SMILES: S(NC(COC)C)(=O)(=O)C1=CC=C(C(O)=O)C=C1

Synonyms:

• 4-[[(2-Methoxy-1-methylethyl)amino]sulfonyl]benzoic acid
• Benzoic acid, 4-[[(2-methoxy-1-methylethyl)amino]sulfonyl]-