Description

2-{[3-(4-Aminobenzamido)phenyl]sulfonyl}ethyl hydrogen sulfate (CAS No. 66056-51-7) is a high-purity sulfonated aromatic compound with the molecular formula C₁₅H₁₆N₂O₇S₂. This specialized chemical features a sulfonylethyl hydrogen sulfate moiety linked to an aminobenzamido-substituted phenyl ring, offering unique reactivity for conjugation and derivatization. With a molecular weight of 400.43 g/mol, this compound is supplied as a stable solid suitable for research and industrial applications. Its structural features make it valuable as a synthetic intermediate in pharmaceutical development, particularly for creating sulfonamide-based therapeutics. The product is rigorously characterized by HPLC, NMR, and mass spectrometry to ensure >95% purity, meeting the stringent requirements of medicinal chemistry and materials science research.

Properties

• CAS Number: 66056-51-7
• Complexity: 674
• IUPAC Name: 2-[3-[(4-aminobenzoyl)amino]phenyl]sulfonylethyl hydrogen sulfate
• InChI: InChI=1S/C15H16N2O7S2/c16-12-6-4-11(5-7-12)15(18)17-13-2-1-3-14(10-13)25(19,20)9-8-24-26(21,22)23/h1-7,10H,8-9,16H2,(H,17,18)(H,21,22,23)
• InChI Key: UQPQHTZHUHOZOE-UHFFFAOYSA-N
• Exact Mass: 400.03989320
• Molecular Formula: C15H16N2O7S2
• Molecular Weight: 400.4
• SMILES: C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)NC(=O)C2=CC=C(C=C2)N
• Topological: 170
• Monoisotopic Mass: 400.03989320
• Synonyms: 66056-51-7, 2-{[3-(4-Aminobenzamido)phenyl]sulfonyl}ethyl hydrogen sulfate, SCHEMBL6323178, DTXSID20563066, UQPQHTZHUHOZOE-UHFFFAOYSA-N, 2-[3-[(4-aminobenzoyl)amino]phenyl]sulfonylethyl hydrogen sulfate, 2-[3-(4-Aminobenzamido)benzene-1-sulfonyl]ethyl hydrogen sulfate

Application

This compound serves as a key intermediate in the synthesis of sulfonamide-containing drug candidates, particularly in developing kinase inhibitors and antimicrobial agents. Researchers utilize its reactive sulfate and amino groups for conjugation with biomolecules in targeted drug delivery systems. The sulfonyl moiety enables participation in nucleophilic substitution reactions for creating sulfonamide libraries. In material science, it finds use in modifying polymer backbones to introduce sulfonate functionality for ion-exchange membranes.

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