89113-18-8

Basic information

• Product Name: ethyl 4-[(phenylsulfonyl)amino]benzoate
• Synonyms: benzoic acid, 4-[(phenylsulfonyl)amino]-, ethyl ester
• CAS NO: 89113-18-8
• Molecular Formula: C₁₅H₁₅NO₄S
• Molecular Weight: 305.3489
• Mol File: 89113-18-8.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 459.8°C at 760 mmHg
• Flash Point: 231.9°C
• Density: 1.31g/cm³
• Vapor Pressure: 1.22E-08mmHg at 25°C
• Refractive Index: 1.599
• CAS DataBase Reference: ethyl 4-[(phenylsulfonyl)amino]benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 4-[(phenylsulfonyl)amino]benzoate(89113-18-8)
• EPA Substance Registry System: ethyl 4-[(phenylsulfonyl)amino]benzoate(89113-18-8)

Safety Data

• Hazardous Substances Data: 89113-18-8(Hazardous Substances Data)

Upstream product

• 98-09-9 benzenesulfonyl chloride 
• 94-09-7 p-aminoethylbenzoate 
• 98-10-2 benzenesulfonamide 
• 51934-41-9 4-iodobenzoic acid ethyl ester 
• 99-77-4 ethyl 4-nitrobenzoate 
• 98-80-6 phenylboronic acid 
• 1145-59-1 4-BnC₆H₄SO₂Cl 
• 98-11-3 benzenesulfonic acid 

Downstream Products

• 1258550-72-9 N-(3-nitro-4-(2-(phenylthio)ethylamino)phenylsulfonyl)-4-(phenylsulfonamido)benzamide 
• 28547-16-2 4-(phenylsulfonamido)benzoic acid 
• 1255716-58-5 4-[benzenesulfonyl-(4-chloro-benzyl)-amino]-benzoic acid ethyl ester 
• 1255716-70-1 4-[benzenesulfonyl-(4-fluoro-benzyl)-amino]-benzoic acid ethyl ester 

Relevant articles and documents

Sequential C-S and S-N Coupling Approach to Sulfonamides

A one-pot three-component reaction involving nitroarenes, (hetero)arylboronic acids, and potassium pyrosulfite leading to sulfonamides was described. A broad range of sulfonamides bearing different reactive functional groups were obtained in good to excellent yields through sequential C-S and S-N coupling that does not require metal catalysts.

Development of novel silanol-based human pregnane X receptor (PXR) agonists with improved receptor selectivity

Pregnane X receptor (PXR) is a ligand-dependent transcription factor that is considered to be a potential therapeutic target for multiple diseases. Herein, we report the development and structure-activity relationship studies of a new series of hPXR agoni

Structure-based design of substituted hexafluoroisopropanol- arylsulfonamides as modulators of RORc

The structure-activity relationships of T0901317 analogs were explored as RORc inverse agonists using the principles of property- and structure-based drug design. An X-ray co-crystal structure of T0901317 and RORc was obtained and provided molecular insight into why T0901317 functioned as an inverse agonist of RORc; whereas, the same ligand functioned as an agonist of FXR, LXR, and PXR. The structural data was also used to design inhibitors with improved RORc biochemical and cellular activities. The improved inhibitors possessed enhanced selectivity profiles (rationalized using the X-ray crystallographic data) against other nuclear receptors.