CAS 691857-54-2: 5-Cyclopropyl-2-(4-fluorophenyl)-6-[(methylsulfonyl)amino]-3-benzofurancarboxylic acid

Description:5-Cyclopropyl-2-(4-fluorophenyl)-6-[(methylsulfonyl)amino]-3-benzofurancarboxylic acid, with the CAS number 691857-54-2, is a synthetic organic compound characterized by its complex molecular structure, which includes a benzofuran core, a cyclopropyl group, and a fluorophenyl substituent. This compound features a carboxylic acid functional group, contributing to its acidic properties, and a methylsulfonylamino group, which enhances its solubility and potential biological activity. The presence of the fluorine atom in the para position of the phenyl ring can influence the compound's electronic properties and lipophilicity, potentially affecting its pharmacokinetics and interactions with biological targets. The cyclopropyl moiety may also impart unique steric and electronic characteristics, making this compound of interest in medicinal chemistry, particularly in the development of pharmaceuticals. Overall, its structural features suggest potential applications in drug discovery, particularly in areas targeting specific biological pathways or conditions.

Formula:C₁₉H₁₆FNO₅S

InChI:InChI=1S/C19H16FNO5S/c1-27(24,25)21-15-9-16-14(8-13(15)10-2-3-10)17(19(22)23)18(26-16)11-4-6-12(20)7-5-11/h4-10,21H,2-3H2,1H3,(H,22,23)

InChI key:InChIKey=JFVKDAWQJYGJPJ-UHFFFAOYSA-N

SMILES:O=C(O)C1=C(OC2=CC(NS(=O)(=O)C)=C(C=C21)C3CC3)C=4C=CC(F)=CC4

Synonyms:
5-Cyclopropyl-2-(4-fluorophenyl)-6-[(methylsulfonyl)amino]-3-benzofurancarboxylic acid
3-Benzofurancarboxylic acid, 5-cyclopropyl-2-(4-fluorophenyl)-6-[(methylsulfonyl)amino]-
5-Cyclopropyl-2-(4-fluorophenyl)-6-[(methylsulfonyl)amino]-1-benzofuran-3-carboxylic acid

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