structure of 4-(Dimethylsulfamoyl)-2-nitrobenzene-1-sulfonyl chloride

4-(Dimethylsulfamoyl)-2-nitrobenzene-1-sulfonyl chloride

CAS No.: 1000932-58-0
M. Wt: 328.8
M. Fa: C8H9ClN2O6S2
InChI Key: JMPGNWKXMDCHET-UHFFFAOYSA-N

Names and Identifiers of 1000932-58-0

CAS Number

1000932-58-0

MDL Number

MFCD09863383

IUPAC Name

4-(dimethylsulfamoyl)-2-nitrobenzenesulfonyl chloride

InChI

InChI=1S/C8H9ClN2O6S2/c1-10(2)19(16,17)6-3-4-8(18(9,14)15)7(5-6)11(12)13/h3-5H,1-2H3

InChIKey

JMPGNWKXMDCHET-UHFFFAOYSA-N

Canonical SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-]

UNSPSC Code

12352100

Physical and chemical properties of 1000932-58-0

H Bond Acceptors

6

H Bond Donors

0

LogP

0.912915934666666

Molecular Formula

C8H9ClN2O6S2

Molecular Weight

328.8

Safety Information of 1000932-58-0

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 1000932-58-0

4-(Dimethylsulfamoyl)-2-nitrobenzene-1-sulfonyl chloride has several applications:

  • Organic Synthesis: It serves as an intermediate in the synthesis of various organic compounds, including pharmaceuticals and agrochemicals.
  • Medicinal Chemistry: The compound is utilized in drug development due to its ability to modify biological targets.
  • Industrial

Interaction Studies of 1000932-58-0

Interaction studies involving 4-(dimethylsulfamoyl)-2-nitrobenzene-1-sulfonyl chloride focus on its reactivity with biological molecules. The sulfonyl chloride group facilitates nucleophilic attack from amino acids or other biomolecules, leading to the formation of stable adducts that can be analyzed for their biological effects. These studies help elucidate the compound's role in biochemical pathways and its potential therapeutic applications .

Biological Activity of 1000932-58-0

4-(Dimethylsulfamoyl)-2-nitrobenzene-1-sulfonyl chloride exhibits significant biological activity, particularly in medicinal chemistry. It is used as a probe for studying enzyme mechanisms and biological pathways. The compound's reactivity allows it to interact with various biological molecules, influencing biochemical pathways and cellular functions. Its derivatives may also have therapeutic potential in treating certain diseases due to their ability to modulate biological processes .