CAS 1240529-19-4

4-[[[[1-(Ethylsulfonyl)-4-piperidinyl]amino]carbonyl]amino]benzoic acid

Description:

4-[[[[1-(Ethylsulfonyl)-4-piperidinyl]amino]carbonyl]amino]benzoic acid, identified by its CAS number 1240529-19-4, is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and a piperidine ring. This substance features an ethylsulfonyl group, which enhances its solubility and potential biological activity. The presence of multiple functional groups, including amino and carbonyl groups, suggests that it may exhibit significant reactivity and potential for forming hydrogen bonds, making it of interest in medicinal chemistry. Its structural attributes may contribute to its pharmacological properties, possibly influencing its interactions with biological targets. The compound is likely to be a solid at room temperature, with properties that may include moderate to high polarity due to the presence of sulfonyl and carboxylic acid functionalities. As with many compounds in this class, it may be investigated for therapeutic applications, particularly in the context of drug development, although specific biological activities would require further empirical study.

Formula: C₁₅H₂₁N₃O₅S

InChI: InChI=1S/C15H21N3O5S/c1-2-24(22,23)18-9-7-13(8-10-18)17-15(21)16-12-5-3-11(4-6-12)14(19)20/h3-6,13H,2,7-10H2,1H3,(H,19,20)(H2,16,17,21)

InChI key: InChIKey=LTMAGKLLWOQORP-UHFFFAOYSA-N

SMILES: N(C(NC1=CC=C(C(O)=O)C=C1)=O)C2CCN(S(CC)(=O)=O)CC2

Synonyms:

• Benzoic acid, 4-[[[[1-(ethylsulfonyl)-4-piperidinyl]amino]carbonyl]amino]-
• 4-[[[[1-(Ethylsulfonyl)-4-piperidinyl]amino]carbonyl]amino]benzoic acid

4-({[1-(Ethanesulfonyl)piperidin-4-yl]carbamoyl}amino)benzoic acid

CAS: 1240529-19-4

Versatile small molecule scaffold

Formula: C₁₅H₂₁N₃O₅S

Purity: Min. 95%

Molecular weight: 355.4 g/mol

Ref: 3D-QZB52919