CAS 247237-38-3

Methyl 5-chloro-2-[[(4-methylphenyl)sulfonyl]amino]benzoate

Description:

Methyl 5-chloro-2-[[(4-methylphenyl)sulfonyl]amino]benzoate, with the CAS number 247237-38-3, is a chemical compound characterized by its complex structure, which includes a benzoate moiety, a sulfonamide group, and a chlorine substituent. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential reactivity and solubility characteristics. The presence of the sulfonyl group often enhances the compound's ability to participate in various chemical reactions, such as nucleophilic substitutions or coupling reactions. Additionally, the chlorine atom can influence the compound's electronic properties and steric hindrance, affecting its biological activity and interaction with other molecules. Methyl 5-chloro-2-[[(4-methylphenyl)sulfonyl]amino]benzoate may be of interest in pharmaceutical research and development due to its potential applications in drug synthesis or as a lead compound in medicinal chemistry. Its specific characteristics, such as melting point, boiling point, and solubility, would typically be determined through experimental methods.

Formula: C₁₅H₁₄ClNO₄S

InChI: InChI=1S/C15H14ClNO4S/c1-10-3-6-12(7-4-10)22(19,20)17-14-8-5-11(16)9-13(14)15(18)21-2/h3-9,17H,1-2H3

InChI key: InChIKey=ULLAAIMUVLVAJX-UHFFFAOYSA-N

SMILES: N(S(=O)(=O)C1=CC=C(C)C=C1)C2=C(C(OC)=O)C=C(Cl)C=C2

Synonyms:

• Benzoic Acid, 5-Chloro-2-[[(4-Methylphenyl)Sulfonyl]Amino]-, Methyl Ester
• Methyl 5-chloro-2-{[(4-methylphenyl)sulfonyl]amino}benzoate

Methyl 5-Chloro-2-[[(4-methylphenyl)sulfonyl]amino]benzoate

Controlled Product

CAS: 247237-38-3

Applications Methyl 5-Chloro-2-[[(4-methylphenyl)sulfonyl]amino]benzoate is a reactant used in the synthesis of Tolvaptan (T536650) and its intermediates. Tolvaptan is a nonpeptide arginine vasopressin (AVP) V2 receptor antagonist.
References Kondo, Kazumi, et al.: Bioorg. & Med. Chem., 7(8), 1743-1757 (1999)

Formula: C₁₅H₁₄ClNO₄S

Color and Shape: Neat

Molecular weight: 339.794

Ref: TR-M295540

Tolvaptan Impurity 47

CAS: 247237-38-3

Formula: C₁₅H₁₄ClNO₄S

Molecular weight: 339.8

Ref: ST-EA-CP-T26046