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CAS 947601-87-8

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sodium 2-[(4-fluorophenyl)(1-methylethyl)amino]-2-oxoethanesulfonate

Description:
Sodium 2-[(4-fluorophenyl)(1-methylethyl)amino]-2-oxoethanesulfonate, identified by its CAS number 947601-87-8, is a chemical compound characterized by its sulfonate functional group, which contributes to its solubility in water. This compound features a sulfonate moiety attached to an oxoethane backbone, with an amino group that is substituted with a 4-fluorophenyl and isopropyl group, enhancing its biological activity and potential applications in pharmaceuticals. The presence of the fluorine atom may influence its electronic properties and lipophilicity, which can affect its interaction with biological targets. As a sodium salt, it is likely to be stable under standard conditions and may exhibit ionic characteristics, making it useful in various chemical and biological applications. Its structural complexity suggests potential utility in medicinal chemistry, particularly in the development of therapeutic agents. However, specific properties such as melting point, boiling point, and reactivity would require empirical data for precise characterization.
Formula:C11H13FNNaO4S
InChI:InChI=1/C11H14FNO4S.Na/c1-8(2)13(11(14)7-18(15,16)17)10-5-3-9(12)4-6-10;/h3-6,8H,7H2,1-2H3,(H,15,16,17);/q;+1/p-1
SMILES:CC(C)N(c1ccc(cc1)F)C(=O)CS(=O)(=O)O.[Na]
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