565227-62-5

Basic information

• Product Name: Acetamide, N-[4-bromo-2-[[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl]-5-meth oxyphenyl]-
• CAS NO: 565227-62-5
• Molecular Formula: C24H20Br2N2O4S
• Molecular Weight: 592.308
• Mol File: 565227-62-5.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Acetamide, N-[4-bromo-2-[[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl]-5-meth oxyphenyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Acetamide, N-[4-bromo-2-[[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl]-5-meth oxyphenyl]-(565227-62-5)
• EPA Substance Registry System: Acetamide, N-[4-bromo-2-[[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl]-5-meth oxyphenyl]-(565227-62-5)

Safety Data

• Hazardous Substances Data: 565227-62-5(Hazardous Substances Data)

Upstream product

• 104066-80-0 N-(4-bromo-3-methoxyphenyl)acetamide 
• 565227-63-6 [3-bromo-1-(phenylsulfonyl)indol-2-yl]methanol 
• 177274-67-8 3-bromo-2-(bromomethyl)-1-(phenylsulfonyl)-1H-indole 

Downstream Products

• 619297-32-4 N-[2-(1-benzenesulfonyl-3-bromo-1H-indole-2-carbonyl)-4-bromo-5-methoxy-phenyl]-acetamide 

Relevant articles and documents

N-{4-Bromo-2-[(3-bromo-1-phenyl-sulfonyl-1H-indol-2-yl)methyl]-5-methoxy phenyl}acetamide

In the title compound, C24H20Br2N2O4S, the indole ring system is planar and the S atom has a distorted tetrahedral configuration. The sulfonyl-bound phenyl ring is orthogonal to the indole ring system and the conformation of the phenylsulfonyl substituent with respect to the indole moiety is influenced by intramolecular C-H...O hydrogen bonds involving the two sulfonyl O atoms. The mean plane through the acetylamido group makes a dihedral angle of 57.0 (1)° with the phenyl ring of the benzyl moiety. In the crystal, glide-related molecules are linked together by N-H...O hydrogen bonds and C-H...π interactions to form molecular chains, which extend through the crystal. Inversion-related chains are interlinked by C-H...π interactions to form molecular layers parallel to the bc plane. These layers are interconnected through π-π interactions involving the five- and six- membered rings of the indole moiety.