CAS 936728-18-6

N-Ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide

Description:

N-Ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide is a chemical compound characterized by its unique structure, which includes a sulfonamide group and a boron-containing moiety. The presence of the sulfonamide functional group typically imparts properties such as increased solubility in polar solvents and potential biological activity, making it relevant in medicinal chemistry. The boron-containing dioxaborolane structure is notable for its ability to participate in various chemical reactions, including Suzuki coupling, which is significant in organic synthesis. This compound may exhibit specific reactivity patterns due to the steric hindrance provided by the tetramethyl groups, influencing its interactions with other molecules. Additionally, the ethyl group contributes to the overall lipophilicity of the compound, potentially affecting its pharmacokinetic properties. Overall, N-Ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide is a versatile compound with applications in synthetic chemistry and potentially in pharmaceutical development.

Formula: C₁₄H₂₂BNO₄S

InChI: InChI=1S/C14H22BNO4S/c1-6-16-21(17,18)12-9-7-11(8-10-12)15-19-13(2,3)14(4,5)20-15/h7-10,16H,6H2,1-5H3

InChI key: InChIKey=HUZRQBCCTXHYLH-UHFFFAOYSA-N

SMILES: CC1(C)OB(OC1(C)C)C2=CC=C(S(NCC)(=O)=O)C=C2

Synonyms:

• Benzenesulfonamide, N-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
• N-Ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide