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CAS 54838-78-7

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4-[(Methylphenylamino)sulfonyl]benzoic acid

Description:
4-[(Methylphenylamino)sulfonyl]benzoic acid, with the CAS number 54838-78-7, is an organic compound characterized by its sulfonamide functional group attached to a benzoic acid structure. This compound typically exhibits properties such as being a solid at room temperature, with potential solubility in polar solvents due to the presence of the sulfonamide and carboxylic acid groups. It may display moderate to high melting points, indicative of strong intermolecular interactions, such as hydrogen bonding. The methylphenylamino group contributes to its overall hydrophobic character, which can influence its solubility and reactivity. This compound may be of interest in pharmaceutical applications, particularly in the development of drugs due to its potential biological activity. Additionally, its structure suggests it could participate in various chemical reactions, including nucleophilic substitutions and coupling reactions, making it a versatile building block in organic synthesis. Safety data should be consulted for handling and usage, as with any chemical substance, to ensure proper precautions are taken.
Formula:C14H13NO4S
InChI:InChI=1S/C14H13NO4S/c1-15(12-5-3-2-4-6-12)20(18,19)13-9-7-11(8-10-13)14(16)17/h2-10H,1H3,(H,16,17)
InChI key:InChIKey=USOAJBIMCUIRFH-UHFFFAOYSA-N
SMILES:S(N(C)C1=CC=CC=C1)(=O)(=O)C2=CC=C(C(O)=O)C=C2
Synonyms:
  • 4-(N-Methyl-N-phenylsulfamoyl)benzoic acid
  • Benzoic acid, 4-[(methylphenylamino)sulfonyl]-
  • 4-[(Methylphenylamino)sulfonyl]benzoic acid
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