CAS 874841-20-0

Ethyl 4-[(methylamino)sulfonyl]benzoate

Description:

Ethyl 4-[(methylamino)sulfonyl]benzoate, identified by its CAS number 874841-20-0, is an organic compound characterized by its ester functional group and a sulfonamide moiety. This substance features an ethyl ester derived from 4-aminobenzoic acid, where a methylamino group is attached to the sulfonyl group, enhancing its solubility and reactivity. The presence of the sulfonyl group contributes to its potential as a bioactive molecule, possibly influencing its pharmacological properties. Ethyl 4-[(methylamino)sulfonyl]benzoate may exhibit moderate to high polarity due to the sulfonamide and ester functionalities, which can affect its interactions in biological systems. Additionally, the compound's structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as sulfonamides are known for their antibacterial properties. However, specific physical properties such as melting point, boiling point, and solubility would need to be referenced from experimental data or literature for precise applications and handling guidelines.

Formula: C₁₀H₁₃NO₄S

InChI: InChI=1S/C10H13NO4S/c1-3-15-10(12)8-4-6-9(7-5-8)16(13,14)11-2/h4-7,11H,3H2,1-2H3

InChI key: InChIKey=BDWDBVYFXCFWJK-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 4-[(methylamino)sulfonyl]-, ethyl ester
• Ethyl 4-[(methylamino)sulfonyl]benzoate