Cas no 2776-47-8 (Benzenesulfonamide,4-amino-N-3-isoxazolyl-)
2776-47-8 structure
Product Name:Benzenesulfonamide,4-amino-N-3-isoxazolyl-
CAS No:2776-47-8
MF:C9H9N3O3S
MW:239.251060247421
CID:268157
PubChem ID:200818
Update Time:2025-04-19
Benzenesulfonamide,4-amino-N-3-isoxazolyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide,4-amino-N-3-isoxazolyl-
- 3-SULFANILAMIDO ISOXAZOLE, SODIUM SALT
- 3-Sulfanilamidoisoxazole
- 4-amino-N-(1,2-oxazol-3-yl)benzenesulfonamide
- 4-Amino-N-3-isoxazolylbenzenesulfonamide
- DTXSID30182101
- Benzenesulfonamide, 4-amino-N-3-isoxazolyl-
- 2776-47-8
- 4-amino-N-(3-isoxazolyl)benzenesulfonamide
- N'-3-Isoxazolylsulfanilamide
- N'-isoxazolylsulfanilamide
- 4-Amino-N-(isoxazol-3-yl)benzenesulfonamide
- SCHEMBL7093262
- A819183
- AKOS012199040
- Sulfanilamide, N'-3-isoxazolyl-
- BRN 0615301
- 4-azanyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
- Benzenesulfonamide, 4-amino-N-3-isoxazolyl-(9CI)
- Benzenesulfonamide, 4-amino-N-3-isoxazolyl- (9CI)
-
- Inchi： 1S/C9H9N3O3S/c10-7-1-3-8(4-2-7)16(13,14)12-9-5-6-15-11-9/h1-6H,10H2,(H,11,12)
- InChI Key： GKOXIKLCHCEONU-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)N)(NC1C=CON=1)(=O)=O
Computed Properties
- Exact Mass: 239.03657
- Monoisotopic Mass: 239.036
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 319
- 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: 0.5
- Topological Polar Surface Area: 107?2
Experimental Properties
- Density: 1.525
- Boiling Point: 482.4°Cat760mmHg
- Flash Point: 245.5°C
- Refractive Index: 1.658
- PSA: 98.22
Benzenesulfonamide,4-amino-N-3-isoxazolyl- Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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