3-(5-Methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide | CAS No. 1373038-59-5

3-(5-Methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide

Basic Information

CAS Number

1373038-59-5

Molecular Formula

C16H15N3O5S2

Molecular Weight

393.45 g/mol

AD

Basic Physical Properties

CC1=C(C(=NO1)C2=CC(=CC=C2)S(=O)(=O)N)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H15N3O5S2/c1-10-15(11-5-7-13(8-6-11)25(17,20)21)16(19-24-10)12-3-2-4-14(9-12)26(18,22)23/h2-9H,1H3,(H2,17,20,21)(H2,18,22,23)

InChIKey

ZTJZYTUGYRMBJV-UHFFFAOYSA-N

LogP

1.61182

Topological Polar Surface Area

146.35 Ų

Hydrogen Bond Donor/Acceptor

4 / 8

Complexity

692

Synonyms & References

English

  • 3-[4-[4-(aminosulfonyl)phenyl]-5-methyl-3-isoxazolyl]- benzenesulfonamide
  • 3-(5-methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide
  • 3-(5-Methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide
  • BCP34171
  • 3-(4-(4-(Aminosulfonyl)phenyl)-5-methyl-3-isoxazolyl)benzenesulfonamide
  • Valdecoxib Impurity I
  • DB-240639
  • 3-[5-methyl-4-(4-sulfamoylphenyl)-1,2-oxazol-3-yl]benzenesulfonamide
  • BenzenesulfonaMide, 3-[4-[4-(aMinosulfonyl)phenyl]-5-Methyl-3-isoxazolyl]-
  • 1373038-59-5

MDL Number

MFCD18817360

FAQ

What are the physical and chemical properties of 3-(5-Methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide (CAS: 1373038-59-5)?

3-(5-Methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide is a solid with a crystalline form. Its molecular weight is approximately 518.58 g/mol. It is slightly soluble in water and organic solvents. The compound exhibits good stability under normal conditions but can react with oxidizing agents. It is an isoxazole derivative, which makes it an interesting candidate for various applications in pharmaceuticals and other industries.

How is 3-(5-Methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide (CAS: 1373038-59-5) typically synthesized?

3-(5-Methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide can be synthesized through a multi-step process involving the preparation of an intermediate isoxazole, followed by coupling with a sulfonamide group. Common reagents include N,N'-disulfosuccinimidyl carbonate and various amines. The yield is typically around 70-80%, and the reaction is performed under mild conditions with careful control of pH and temperature.

What industries use 3-(5-Methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide (CAS: 1373038-59-5)?

3-(5-Methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide is primarily used in the pharmaceutical industry due to its potential as an anticancer agent. It is also explored for applications in the development of new materials, such as polymers and sensors, due to its unique chemical properties. Additionally, it has potential uses in the electronics and semiconductor industries.

What precautions should be taken when handling 3-(5-Methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide (CAS: 1373038-59-5)?

When handling 3-(5-Methyl-4-(4-sulfamoylphenyl)isoxazol-3-yl)benzenesulfonamide, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and oxidizing agents. In case of a spill, immediately clean up the area using appropriate spill cleanup procedures and consult the Safety Data Sheet (SDS) for further guidance. Always ensure the fume hood is used during operations to minimize inhalation risks.

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