Cas no 181696-40-2 (Benzenesulfonamide, 4-[3-(4-fluorophenyl)-5-methyl-4-isoxazolyl]-)
![Benzenesulfonamide, 4-[3-(4-fluorophenyl)-5-methyl-4-isoxazolyl]- structure](https://ossimg.kuujia.com/scimg/182000/181696-40-2x500.png)
181696-40-2 structure
Product Name:Benzenesulfonamide, 4-[3-(4-fluorophenyl)-5-methyl-4-isoxazolyl]-
CAS No:181696-40-2
MF:C16H13FN2O3S
MW:332.349426031113
CID:1373267
PubChem ID:11530051
Update Time:2025-04-20
Benzenesulfonamide, 4-[3-(4-fluorophenyl)-5-methyl-4-isoxazolyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, 4-[3-(4-fluorophenyl)-5-methyl-4-isoxazolyl]-
- 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
- 4-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-yl]-benzenesulfonamide
- CHEMBL372838
- 181696-40-2
- 4-(3-(4-Fluorophenyl)-5-methylisoxazol-4-yl)benzenesulfonamide
- BDBM50173287
- DTXSID60468127
- SCHEMBL4800858
-
- Inchi： 1S/C16H13FN2O3S/c1-10-15(11-4-8-14(9-5-11)23(18,20)21)16(19-22-10)12-2-6-13(17)7-3-12/h2-9H,1H3,(H2,18,20,21)
- InChI Key： GVLVIZRBGRSLTK-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)C1=C(C)ON=C1C1C=CC(=CC=1)F)(N)(=O)=O
Computed Properties
- Exact Mass: 332.06319
- Monoisotopic Mass: 332.06309162g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 494
- 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: 2.7
- Topological Polar Surface Area: 94.6?2
Experimental Properties
- PSA: 86.19
Benzenesulfonamide, 4-[3-(4-fluorophenyl)-5-methyl-4-isoxazolyl]- Related Literature
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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