structure of 4'-anilinotoluene-4-sulphonanilide

4'-anilinotoluene-4-sulphonanilide

CAS No.: 100-93-6
M. Wt: 338.42300
M. Fa: C19H18N2O2S
InChI Key: -
Appearance: Solid

Names and Identifiers of 4'-anilinotoluene-4-sulphonanilide

CAS Number

100-93-6

IUPAC Name

4-methyl-N-(4-phenylazanylphenyl)benzenesulfonamide

Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3

Physical and chemical properties of 4'-anilinotoluene-4-sulphonanilide

Boiling Point

521ºC at 760mmHg

Density

1.297g/cm3

Exact Mass

338.10900

Flash Point

268.9ºC

Index of Refraction

1.665

LogP

5.76620

Molecular Formula

C19H18N2O2S

Molecular Weight

338.42300

PSA

66.58000

Vapour Pressure

5.89E-11mmHg at 25°C

Safety Information of 4'-anilinotoluene-4-sulphonanilide

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 4'-anilinotoluene-4-sulphonanilide

Benzenesulfonamide, 4-methyl-N-[4-(phenylamino)phenyl]- has various applications in research and industry:

  • Analytical Chemistry: It can be analyzed using high-performance liquid chromatography (HPLC), which is useful for separating and purifying compounds in pharmacokinetic studies.
  • Pharmaceutical Development: Due to its biological activity, it serves as a lead compound for developing new therapeutic agents targeting carbonic anhydrase or other biological pathways.
  • Material Science: The compound may also find applications in materials science due to its unique structural properties.

Interaction Studies of 4'-anilinotoluene-4-sulphonanilide

Studies on interaction profiles indicate that benzenesulfonamide derivatives can interact with various biological targets, including enzymes involved in metabolic pathways. Specific interactions with carbonic anhydrase isoforms have been documented, highlighting their potential as enzyme inhibitors. Further research into these interactions could elucidate mechanisms of action and inform drug design strategies.

Biological Activity of 4'-anilinotoluene-4-sulphonanilide

Benzenesulfonamide derivatives have been studied for their biological activities, particularly as inhibitors of carbonic anhydrase enzymes, which play crucial roles in physiological processes such as respiration and acid-base balance. Research indicates that certain benzenesulfonamides exhibit significant inhibitory effects against specific cancer cell lines, suggesting potential applications in cancer therapy. The compound has been evaluated by the National Cancer Institute for its anticancer properties, indicating its relevance in medicinal chemistry.

Physical sample testing spectrum (NMR) of 4'-anilinotoluene-4-sulphonanilide

Physical sample testing spectrum (NMR) of 4'-anilinotoluene-4-sulphonanilide

Retrosynthesis analysis of 4'-anilinotoluene-4-sulphonanilide

  • Route#1

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