structure of 1-methyl-4-(phenylsulfamoyl)-1H-pyrrole-2-carboxamide

1-methyl-4-(phenylsulfamoyl)-1H-pyrrole-2-carboxamide

CAS No.: 1000932-96-6
M. Wt: 279.31
M. Fa: C12H13N3O3S
InChI Key: DSUAOTKDMKUCLW-UHFFFAOYSA-N

Names and Identifiers of 1000932-96-6

CAS Number

1000932-96-6

MDL Number

MFCD09863421

IUPAC Name

1-methyl-4-(phenylsulfamoyl)pyrrole-2-carboxamide

InChI

InChI=1S/C12H13N3O3S/c1-15-8-10(7-11(15)12(13)16)19(17,18)14-9-5-3-2-4-6-9/h2-8,14H,1H3,(H2,13,16)

InChIKey

DSUAOTKDMKUCLW-UHFFFAOYSA-N

Canonical SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)NC2=CC=CC=C2

UNSPSC Code

12352100

Physical and chemical properties of 1000932-96-6

Acidity coefficient

8.17±0.48(Predicted)

Boiling Point

506.6±60.0 °C(Predicted)

Density

1.41±0.1 g/cm3(Predicted)

H Bond Acceptors

3

H Bond Donors

2

LogP

0.535112696333333

Molecular Formula

C12H13N3O3S

Molecular Weight

279.31

Safety Information of 1000932-96-6

Pictograms

Signal Word

 Warning

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

Applications of 1000932-96-6

The applications of 1-methyl-4-(phenylsulfamoyl)-1H-pyrrole-2-carboxamide span across several fields:

  • Pharmaceutical Research: As a lead compound for developing new antimicrobial or anti-inflammatory agents.
  • Chemical Biology: As a tool in studying biological pathways related to inflammation or infection.
  • Material Science: Potential use in developing novel materials due to its unique chemical structure.

Its diverse applications highlight its importance in both medicinal chemistry and materials science.

Interaction Studies of 1000932-96-6

Interaction studies are crucial for understanding how 1-methyl-4-(phenylsulfamoyl)-1H-pyrrole-2-carboxamide interacts with biological systems. These studies may include:

  • Binding Affinity Assessments: Evaluating how well the compound binds to specific biological targets (e.g., enzymes or receptors).
  • In Vivo Studies: Investigating the pharmacokinetics and pharmacodynamics in animal models to assess efficacy and safety.
  • Mechanistic Studies: Understanding the biochemical pathways affected by this compound, which could reveal new therapeutic targets.

Such studies contribute significantly to drug development processes.

Biological Activity of 1000932-96-6

1-Methyl-4-(phenylsulfamoyl)-1H-pyrrole-2-carboxamide has been studied for its biological activities, particularly in the context of pharmacology. Compounds with sulfamoyl groups are often associated with antimicrobial and anti-inflammatory properties. Preliminary studies suggest that this compound may exhibit:

  • Antimicrobial Activity: Potential effectiveness against various bacterial strains.
  • Anti-inflammatory Properties: Possible inhibition of inflammatory pathways, making it a candidate for treating inflammatory diseases.

Further investigations are necessary to elucidate its exact mechanisms of action and therapeutic potential.