Cas no 84211-50-7 (Benzenesulfonamide, 4-amino-N-(5-methyl-3-isoxazolyl)-, hydrate (2:1))
84211-50-7 structure
Product Name:Benzenesulfonamide, 4-amino-N-(5-methyl-3-isoxazolyl)-, hydrate (2:1)
CAS No:84211-50-7
MF:C10H13N3O4S
MW:271.292920827866
CID:583322
PubChem ID:127262445
Update Time:2025-04-19
Benzenesulfonamide, 4-amino-N-(5-methyl-3-isoxazolyl)-, hydrate (2:1) Chemical and Physical Properties
Names and Identifiers
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- Benzenesulfonamide, 4-amino-N-(5-methyl-3-isoxazolyl)-, hydrate (2:1)
- 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide,hydrate
- 4-Amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide hydrate
- 84211-50-7
-
- Inchi： 1S/C10H11N3O3S.H2O/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6H,11H2,1H3,(H,12,13);1H2
- InChI Key： MPAJMQNOWSSPJX-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)N)(NC1C=C(C)ON=1)(=O)=O.O
Computed Properties
- Exact Mass: 271.06267708g/mol
- Monoisotopic Mass: 271.06267708g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 346
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 108?2
Benzenesulfonamide, 4-amino-N-(5-methyl-3-isoxazolyl)-, hydrate (2:1) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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