structure of 1-Benzenesulfonyl-5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine

1-Benzenesulfonyl-5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine

CAS No.: 1001414-09-0
M. Wt: 418.63700
M. Fa: C13H8ClIN2O2S
InChI Key: VZXZRNATZJUUQW-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 1001414-09-0

CAS Number

1001414-09-0

MDL Number

MFCD08741538

IUPAC Name

1-(benzenesulfonyl)-5-chloro-3-iodopyrrolo[2,3-b]pyridine

InChI

InChI=1S/C13H8ClIN2O2S/c14-9-6-11-12(15)8-17(13(11)16-7-9)20(18,19)10-4-2-1-3-5-10/h1-8H

InChIKey

VZXZRNATZJUUQW-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC(=C3)Cl)I

UNSPSC Code

12352100

Physical and chemical properties of 1001414-09-0

Exact Mass

417.90400

H Bond Acceptors

3

H Bond Donors

0

LogP

4.61210

Molecular Formula

C13H8ClIN2O2S

Molecular Weight

418.63700

PSA

60.34000

Safety Information of 1001414-09-0

Pictograms

Signal Word

 Warning

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

Applications of 1001414-09-0

The applications of 1-benzenesulfonyl-5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine are diverse:

  • Pharmaceuticals: It serves as a lead compound in drug development due to its inhibitory properties against specific biological targets.
  • Research Tools: Used in proteomics and biochemical assays to study protein interactions and functions.
  • Chemical Synthesis: Acts as an intermediate for synthesizing more complex organic molecules.

Interaction Studies of 1001414-09-0

Interaction studies have shown that 1-benzenesulfonyl-5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine interacts with various biomolecules. Its halogen substituents enhance binding affinity to target proteins or enzymes, making it a candidate for further investigation in medicinal chemistry. Studies focusing on its mechanism of action are ongoing to elucidate its full potential in therapeutic applications.

Biological Activity of 1001414-09-0

Research indicates that 1-benzenesulfonyl-5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine exhibits notable biological activities. It has been studied for its potential as an inhibitor in various biochemical pathways, particularly in proteomics research. The presence of halogen atoms in its structure may contribute to its interaction with biological targets, making it valuable in drug discovery and development.

Physical sample testing spectrum (NMR) of 1001414-09-0

Physical sample testing spectrum (NMR) of 1001414-09-0

Retrosynthesis analysis of 1001414-09-0

  • Route#1

    Cas:900514-08-1
    Cas:98-09-9
    Cas:1001414-09-0