structure of 1H-Pyrrolo[2,3-B]pyridine, 5-methyl-1-(phenylsulfonyl)-

1H-Pyrrolo[2,3-B]pyridine, 5-methyl-1-(phenylsulfonyl)-

CAS No.: 1001070-50-3
M. Wt: 272.322
M. Fa: C14H12N2O2S
InChI Key: BYOCVLCQUZBHNT-UHFFFAOYSA-N

Names and Identifiers of 1001070-50-3

CAS Number

1001070-50-3

IUPAC Name

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

InChI

InChI=1S/C14H12N2O2S/c1-11-9-12-7-8-16(14(12)15-10-11)19(17,18)13-5-3-2-4-6-13/h2-10H,1H3

InChIKey

BYOCVLCQUZBHNT-UHFFFAOYSA-N

Canonical SMILES

CC1=CC2=C(N=C1)N(C=C2)S(=O)(=O)C3=CC=CC=C3

Physical and chemical properties of 1001070-50-3

Boiling Point

477.2±37.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

272.061951

Flash Point

242.4±26.5 °C

Index of Refraction

1.654

LogP

2.81

Molecular Formula

C14H12N2O2S

Molecular Weight

272.322

PSA

60.34000

Vapour Pressure

0.0±1.2 mmHg at 25°C

Applications of 1001070-50-3

1H-Pyrrolo[2,3-B]pyridine, 5-methyl-1-(phenylsulfonyl)- has several applications:

  • Pharmaceutical Development: Due to its potential antitumor and antimicrobial properties, it is being investigated as a lead compound in drug development.
  • Chemical Research: The compound serves as an intermediate in synthesizing more complex organic molecules and pharmaceuticals.
  • Material Science: Its unique structure may lend itself to applications in developing new materials or catalysts.

Interaction Studies of 1001070-50-3

Interaction studies involving this compound focus on its binding affinity to various biological targets. Preliminary studies suggest that it may interact with enzymes or receptors relevant to cancer treatment or infectious diseases. Understanding these interactions is crucial for optimizing its pharmacological profiles and therapeutic indices.