698394-72-8

Basic information

• Product Name: Benzenesulfonamide, N-[4-chloro-2-(4-pyridinylcarbonyl)phenyl]-4-(1,1-dimethylethyl)-
• Synonyms: 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide
• CAS NO: 698394-72-8
• Molecular Formula: C22H21ClN2O3S
• Molecular Weight: 428.939
• Mol File: 698394-72-8.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Benzenesulfonamide, N-[4-chloro-2-(4-pyridinylcarbonyl)phenyl]-4-(1,1-dimethylethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenesulfonamide, N-[4-chloro-2-(4-pyridinylcarbonyl)phenyl]-4-(1,1-dimethylethyl)-(698394-72-8)
• EPA Substance Registry System: Benzenesulfonamide, N-[4-chloro-2-(4-pyridinylcarbonyl)phenyl]-4-(1,1-dimethylethyl)-(698394-72-8)

Safety Data

• Hazardous Substances Data: 698394-72-8(Hazardous Substances Data)

Upstream product

• 15084-51-2 4-tert-butylbenzenesulfonyl chloride 
• 105192-42-5 (2-amino-5-chlorophenyl)(pyridin-4-yl)methanone 
• 65854-91-3 N-(4-chlorophenyl)-2,2-dimethylpropionamide 
• 55-22-1 pyridine-4-carboxylic acid 
• 52482-36-7 morpholin-4-yl(pyridin-4-yl)methanone 

Downstream Products

• 870556-02-8 4-tert-butyl-N-(4-chloro-2-[(Z)-methoxyimino-pyridin-4-yl-methyl]-phenyl)-benzenesulfonamide 
• 870556-01-7 4-tert-butyl-N-(4-chloro-2-[(E)-methoxyimino-pyridin-4-yl-methyl]-phenyl)-benzenesulfonamide 
• 698394-73-9 N-{4-chloro-2-[(1-oxidopyridin-4-yl)carbonyl]phenyl}-4-(1,1-dimethylethyl) benzenesulfonamide 

Relevant articles and documents

Evaluation of tert-butyl isosteres: Case studies of physicochemical and pharmacokinetic properties, efficacies, and activities

The tert-butyl group is a common motif in medicinal chemistry. Its incorporation into bioactive compounds is often accompanied by unwanted property modulation, such as increased lipophilicity and decreased metabolic stability. Several alternative substituents are available for the drug discovery process. Herein, physicochemical data of two series of drug analogues of bosentan and vercirnon are documented as part of a comparative study of tert-butyl, pentafluorosulfanyl, trifluoromethyl, bicyclo[1.1.1]pentanyl, and cyclopropyl-trifluoromethyl substituents.

ARYL SULFONAMIDES

Compounds are provided that act as potent antagonists of the CCR9 receptor, and which have been further confirmed in animal testing for inflammation, one of the hallmark disease states for CCR9. The compounds are generally aryl sulfonamide derivatives and are useful in pharmaceutical compositions, methods for the treatment of CCR9-mediated diseases, and as controls in assays for the identification of CCR9 antagonists.