structure of N-(chloroacetyl)-1-methyl-4-(morpholin-4-ylsulfonyl)-1H-pyrrole-2-carboxamide

N-(chloroacetyl)-1-methyl-4-(morpholin-4-ylsulfonyl)-1H-pyrrole-2-carboxamide

CAS No.: 1000932-87-5
M. Wt: 349.79
M. Fa: C12H16N3O5SCl
InChI Key: NPNTTXBIIUFHFT-UHFFFAOYSA-N

Names and Identifiers of 1000932-87-5

CAS Number

1000932-87-5

MDL Number

MFCD09863411

IUPAC Name

N-(2-chloroacetyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

InChI

InChI=1S/C12H16ClN3O5S/c1-15-8-9(6-10(15)12(18)14-11(17)7-13)22(19,20)16-2-4-21-5-3-16/h6,8H,2-5,7H2,1H3,(H,14,17,18)

InChIKey

NPNTTXBIIUFHFT-UHFFFAOYSA-N

Canonical SMILES

CN1C=C(C=C1C(=O)NC(=O)CCl)S(=O)(=O)N2CCOCC2

UNSPSC Code

12352100

Physical and chemical properties of 1000932-87-5

Acidity coefficient

9.79±0.46(Predicted)

Density

1.55 ± 0.1 g/cm3(Predicted)

Exact Mass

349.049927

H Bond Acceptors

5

H Bond Donors

1

Index of Refraction

n20D1.64 ± 0.05(Predicted)

LogP

-1.26

Molecular Formula

C12H16N3O5SCl

Molecular Weight

349.79

Safety Information of 1000932-87-5

Pictograms

Signal Word

 Warning

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

Applications of 1000932-87-5

N-(2-chloroacetyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide has a wide range of applications across various fields:

  • Chemical Research: Serves as a building block for synthesizing more complex molecules.
  • Biological Studies: Investigated for potential roles as enzyme inhibitors or receptor modulators.
  • Medical

Interaction Studies of 1000932-87-5

Studies on the interactions of N-(2-chloroacetyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide with biological systems are ongoing. Preliminary findings suggest that its unique functional groups may enhance solubility and biological interactions, making it a valuable compound for further research in pharmacology and biochemistry.

Biological Activity of 1000932-87-5

Research indicates that N-(2-chloroacetyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide exhibits promising biological activity, particularly in the areas of antimicrobial and anticancer properties. Its structural features suggest potential as an enzyme inhibitor or receptor modulator, making it a candidate for further therapeutic exploration.