Cas no 950227-44-8 (1-(4-bromophenyl)-N-isopropylmethanesulfonamide)

1-(4-bromophenyl)-N-isopropylmethanesulfonamide structure
950227-44-8 structure
Product Name:1-(4-bromophenyl)-N-isopropylmethanesulfonamide
CAS No:950227-44-8
MF:C10H14BrNO2S
MW:292.192660808563
CID:93240
PubChem ID:17741334
Update Time:2025-11-02

1-(4-bromophenyl)-N-isopropylmethanesulfonamide Chemical and Physical Properties

Names and Identifiers

    • 1-(4-bromophenyl)-N-isopropylmethanesulfonamide
    • 1-(4-bromophenyl)-N-propan-2-ylmethanesulfonamide
    • 1-(4-bromophenyl)-N-isopropyl-methanesulfonamide
    • DTXSID00589921
    • 1-(4-bromophenyl)-N-(propan-2-yl)methanesulfonamide
    • A845150
    • CS-0330072
    • SCHEMBL18571235
    • FT-0712433
    • AM101695
    • AKOS000378648
    • 950227-44-8
    • Inchi: 1S/C10H14BrNO2S/c1-8(2)12-15(13,14)7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3
    • InChI Key: SXQSXKRPUKAPNF-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)CS(NC(C)C)(=O)=O

Computed Properties

  • Exact Mass: 290.99300
  • Monoisotopic Mass: 290.993
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 276
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.3
  • Topological Polar Surface Area: 54.6A^2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 388.4±44.0 °C at 760 mmHg
  • Flash Point: 188.7±28.4 °C
  • PSA: 54.55000
  • LogP: 3.74860
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

1-(4-bromophenyl)-N-isopropylmethanesulfonamide Security Information

1-(4-bromophenyl)-N-isopropylmethanesulfonamide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B805478-10mg
1-(4-Bromophenyl)-N-isopropylmethanesulfonamide
950227-44-8
10mg
$ 50.00 2022-06-01
TRC
B805478-50mg
1-(4-Bromophenyl)-N-isopropylmethanesulfonamide
950227-44-8
50mg
$ 115.00 2022-06-01
TRC
B805478-100mg
1-(4-Bromophenyl)-N-isopropylmethanesulfonamide
950227-44-8
100mg
$ 160.00 2022-06-01
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1400742-1g
1-(4-Bromophenyl)-N-isopropylmethanesulfonamide
950227-44-8 98%
1g
¥1874.00 2024-04-24

Additional information on 1-(4-bromophenyl)-N-isopropylmethanesulfonamide

Chemical Profile of 1-(4-bromophenyl)-N-isopropylmethanesulfonamide (CAS No. 950227-44-8)

1-(4-bromophenyl)-N-isopropylmethanesulfonamide, identified by the Chemical Abstracts Service Number (CAS No.) 950227-44-8, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This sulfonamide derivative, characterized by its 4-bromophenyl substituent and isopropyl moiety, exhibits a unique structural framework that makes it a promising candidate for further exploration in drug discovery and development.

The molecular structure of 1-(4-bromophenyl)-N-isopropylmethanesulfonamide consists of a sulfonamide functional group (-SO?NH-) connected to a 4-bromophenyl ring and an isopropyl side chain. The presence of the bromine atom at the para position of the phenyl ring introduces electrophilic characteristics, which can be exploited in various chemical reactions, including cross-coupling reactions and nucleophilic substitutions. This structural feature enhances its utility as an intermediate in synthesizing more complex molecules, particularly in the development of novel therapeutic agents.

In recent years, sulfonamide derivatives have been extensively studied due to their broad spectrum of biological activities. These compounds are known to interact with biological targets such as enzymes and receptors, leading to potential therapeutic effects. The specific combination of the 4-bromophenyl group and the isopropyl moiety in 1-(4-bromophenyl)-N-isopropylmethanesulfonamide may contribute to its unique pharmacological profile, making it a valuable scaffold for designing new drugs.

One of the most compelling aspects of this compound is its potential application in the synthesis of kinase inhibitors. Kinases are enzymes that play a crucial role in many cellular processes, including cell growth, division, and signal transduction. Dysregulation of kinase activity is often associated with various diseases, particularly cancer. The sulfonamide core is a well-known pharmacophore in kinase inhibitors, and modifications to this core can lead to enhanced binding affinity and selectivity. The presence of the 4-bromophenyl group provides a handle for further chemical modifications via cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, which can be used to attach diverse pharmacophoric groups.

Recent studies have highlighted the importance of sulfonamide derivatives in developing antiviral and antibacterial agents. The structural features of 1-(4-bromophenyl)-N-isopropylmethanesulfonamide, particularly the sulfonamide group and the electron-withdrawing nature of the 4-bromophenyl ring, make it a suitable candidate for interacting with viral proteases or bacterial enzymes. This interaction can lead to inhibition of pathogenic processes, offering a potential therapeutic approach against infectious diseases.

The synthesis of 1-(4-bromophenyl)-N-isopropylmethanesulfonamide involves several key steps that highlight its synthetic versatility. The preparation typically starts with the bromination of 4-iodoaniline or 4-chloroaniline to introduce the 4-bromophenyl group. Subsequently, nucleophilic substitution reactions are employed to install the sulfonamide functionality. The final step involves the addition of an isopropyl group via nucleophilic substitution or other suitable methods. This synthetic route underscores the compound's adaptability for further functionalization, allowing researchers to tailor its properties for specific applications.

The chemical properties of 1-(4-bromophenyl)-N-isopropylmethanesulfonamide, such as its solubility, stability, and reactivity, are also important considerations in its application. The compound exhibits moderate solubility in organic solvents commonly used in pharmaceutical research, facilitating its use in various chemical transformations. Its stability under standard conditions makes it a reliable intermediate for long-term storage and handling.

In conclusion, 1-(4-bromophenyl)-N-isopropylmethanesulfonamide (CAS No. 950227-44-8) represents a significant advancement in pharmaceutical chemistry due to its unique structural features and versatile synthetic applications. Its potential as a scaffold for developing novel therapeutic agents underscores its importance in ongoing research efforts aimed at addressing various diseases. As scientific understanding continues to evolve, further exploration into the pharmacological properties and applications of this compound will undoubtedly yield valuable insights and innovations.

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