CAS 1621962-31-9

4-(S,N-Dimethylsulfonimidoyl)benzoic acid

Description:

4-(S,N-Dimethylsulfonimidoyl)benzoic acid is an organic compound characterized by its sulfonimidoyl functional group attached to a benzoic acid moiety. This compound features a benzene ring substituted with a carboxylic acid group and a sulfonimidoyl group, which consists of a sulfur atom bonded to a nitrogen atom that carries two methyl groups. The presence of the sulfonimidoyl group imparts unique chemical properties, such as potential reactivity in nucleophilic substitution reactions and the ability to participate in hydrogen bonding due to the acidic carboxylic group. The compound is likely to exhibit moderate solubility in polar solvents, given the presence of both hydrophobic (benzene ring) and hydrophilic (carboxylic acid and sulfonimidoyl) components. Its applications may extend to medicinal chemistry, particularly in the development of pharmaceuticals, due to the bioactive nature of sulfonamide derivatives. Overall, 4-(S,N-Dimethylsulfonimidoyl)benzoic acid represents a versatile structure with potential utility in various chemical and biological contexts.

Formula: C₉H₁₁NO₃S

InChI: InChI=1S/C9H11NO3S/c1-10-14(2,13)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)

InChI key: InChIKey=WBRKDISQTZIBGW-UHFFFAOYSA-N

SMILES: S(=NC)(C)(=O)C1=CC=C(C(O)=O)C=C1

Synonyms:

• Benzoic acid, 4-(S,N-dimethylsulfonimidoyl)-
• 4-(S,N-Dimethylsulfonimidoyl)benzoic acid

4-​(S,​N-​Dimethylsulfonimidoy​l)​-benzoic acid

CAS: 1621962-31-9

Versatile small molecule scaffold

Formula: C₉H₁₁NO₃S

Purity: Min. 95%

Molecular weight: 213.26 g/mol

Ref: 3D-WPC96231