4-(carbamoylamino)benzene-1-sulfonyl fluoride


Chemical Name: 4-(carbamoylamino)benzene-1-sulfonyl fluoride
CAS Number: 1193387-13-1
Product Number: AG019W2H(AG019W2H)
Synonyms:
MDL No:
Molecular Formula: C7H7FN2O3S
Molecular Weight: 218.2055

Identification/Properties


Computed Properties
Molecular Weight:
218.202g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
218.016g/mol
Monoisotopic Mass:
218.016g/mol
Topological Polar Surface Area:
97.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
303
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



4-(Carbamoylamino)benzene-1-sulfonyl fluoride, also known as CBSF, is a versatile compound that finds extensive application in organic synthesis. This compound serves as a key intermediate in the preparation of various pharmaceuticals, agrochemicals, and advanced materials. In organic synthesis, CBSF is commonly employed as a reagent for the introduction of the sulfonyl fluoride functional group into a variety of organic molecules. This transformation is particularly valuable in medicinal chemistry, as the sulfonyl fluoride moiety can enhance the biological activity and metabolic stability of the resulting compounds. Specifically, CBSF is utilized in the synthesis of sulfonyl-containing compounds such as sulfonamides, sulfonylureas, and sulfonate esters, which exhibit diverse pharmacological properties. Furthermore, the presence of the carbamoylamino group in CBSF imparts additional versatility, allowing for the selective modification of specific functional groups in target molecules.Overall, the strategic use of 4-(Carbamoylamino)benzene-1-sulfonyl fluoride in chemical synthesis enables rapid and efficient access to structurally complex compounds with potential applications in drug discovery and material science.