Cas no 32361-47-0 (N-methylsulfamoyl fluoride)

N-Methylsulfamoyl fluoride (CH?FNO?S) is a fluorinated sulfonamide derivative with applications in organic synthesis and medicinal chemistry. Its key advantage lies in its reactivity as a sulfamoylating agent, enabling the introduction of the N-methylsulfamoyl group into target molecules. The compound’s fluorine moiety enhances electrophilicity, facilitating efficient reactions with nucleophiles. It is particularly valued for its stability under controlled conditions and selectivity in modifying amines or alcohols. N-Methylsulfamoyl fluoride is also used in the development of enzyme inhibitors and bioactive compounds due to its ability to act as a warhead in covalent binding strategies. Proper handling is essential due to its moisture sensitivity and potential toxicity.
N-methylsulfamoyl fluoride structure
N-methylsulfamoyl fluoride structure
Product Name:N-methylsulfamoyl fluoride
CAS No:32361-47-0
MF:CH4FNO2S
MW:113.111362457275
MDL:MFCD29033900
CID:3938792
PubChem ID:54434926
Update Time:2025-06-08

N-methylsulfamoyl fluoride Chemical and Physical Properties

Names and Identifiers

    • Sulfamoyl fluoride, methyl-
    • N-methylsulfamoyl fluoride
    • Sulfamoyl fluoride, N-methyl-
    • N-methylsulfamoylfluoride
    • SCHEMBL11220079
    • G44777
    • 32361-47-0
    • EN300-223447
    • 895-088-8
    • ES-2176
    • AKOS037652474
    • MDL: MFCD29033900
    • Inchi: 1S/CH4FNO2S/c1-3-6(2,4)5/h3H,1H3
    • InChI Key: WKBFOPPPPFIKOU-UHFFFAOYSA-N
    • SMILES: S(F)(NC)(=O)=O

Computed Properties

  • Exact Mass: 112.99467771Da
  • Monoisotopic Mass: 112.99467771Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 1
  • Complexity: 110
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 54.6?2

N-methylsulfamoyl fluoride Pricemore >>

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Additional information on N-methylsulfamoyl fluoride

Professional Introduction to N-methylsulfamoyl fluoride (CAS No. 32361-47-0)

N-methylsulfamoyl fluoride, with the chemical formula CAS No. 32361-47-0, is a specialized compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound, characterized by its unique structural and functional properties, plays a crucial role in various synthetic applications, particularly in the development of pharmaceutical intermediates and fine chemicals. The introduction of fluorine atoms into organic molecules often enhances their metabolic stability and binding affinity, making N-methylsulfamoyl fluoride a valuable tool in medicinal chemistry.

TheN-methylsulfamoyl group is a key feature of this compound, contributing to its reactivity and utility in synthetic pathways. This group is frequently employed in the modification of biological molecules, enabling researchers to tailor the properties of their targets for improved efficacy and selectivity. The presence of thefluoride moiety further enhances the compound's versatility, allowing for the introduction of fluorine into complex molecular architectures through nucleophilic substitution reactions.

In recent years, N-methylsulfamoyl fluoride has been extensively studied for its potential applications in drug discovery and development. One notable area of research involves its use as a building block in the synthesis of sulfonamide-based drugs. Sulfonamides are a class of heterocyclic compounds that have demonstrated broad-spectrum biological activity, including antibacterial, antiviral, and anti-inflammatory properties. The incorporation of the N-methylsulfamoyl group into these molecules can modulate their pharmacokinetic profiles, leading to improved drug delivery and reduced side effects.

Recent advancements in computational chemistry have also highlighted the importance of N-methylsulfamoyl fluoride in virtual screening and molecular docking studies. These computational methods allow researchers to predict the binding interactions between drug candidates and biological targets with high precision. The unique electronic properties of theN-methylsulfamoyl group make it an attractive moiety for designing molecules that can selectively interact with specific proteins or enzymes. This has led to the identification of novel therapeutic agents with enhanced potency and reduced toxicity.

The role of N-methylsulfamoyl fluoride in peptide modification has been another area of active investigation. Peptides are short chains of amino acids that play critical roles in various biological processes. By incorporating this compound into peptide synthesis, researchers can introduce functional groups that enhance the stability and bioavailability of peptide-based drugs. This approach has been particularly useful in the development of peptide mimetics, which are designed to mimic the structure and function of natural peptides but with improved pharmacological properties.

Furthermore, thefluoride component of N-methylsulfamoyl fluoride has been exploited in fluorine chemistry for the development of new analytical techniques and imaging agents. Fluorine-containing compounds are widely used in nuclear magnetic resonance (NMR) spectroscopy due to their high gyromagnetic ratios, which provide detailed structural information about molecules. Additionally, fluorine atoms can be incorporated into positron emission tomography (PET) tracers, enabling non-invasive imaging of biological processes at the molecular level.

The synthetic methodologies involving N-methylsulfamoyl fluoride have also seen significant innovation. Transition metal-catalyzed reactions have emerged as powerful tools for introducing this moiety into complex molecular frameworks efficiently and selectively. For instance, palladium-catalyzed cross-coupling reactions have been employed to construct carbon-fluorine bonds, which are essential for many pharmaceutical applications. These advances have not only streamlined synthetic routes but also opened up new possibilities for designing novel fluorinated compounds with tailored properties.

In conclusion, N-methylsulfamoyl fluoride (CAS No. 32361-47-0) is a versatile compound with numerous applications in pharmaceutical research and chemical synthesis. Its unique structural features make it an invaluable tool for modifying biological molecules, developing sulfonamide-based drugs, and creating fluorinated compounds for analytical and imaging purposes. As research continues to uncover new methodologies and applications, the importance of this compound is likely to grow further, contributing to advancements in medicine and materials science.

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