Cas no 501093-49-8 (Benzenesulfonamide, N-hydroxy-4-(5-methyl-3-phenyl-4-isoxazolyl)-)
501093-49-8 structure
Product Name:Benzenesulfonamide, N-hydroxy-4-(5-methyl-3-phenyl-4-isoxazolyl)-
CAS No:501093-49-8
MF:C16H14N2O4S
MW:330.358362674713
CID:365709
PubChem ID:11198846
Update Time:2025-04-19
Benzenesulfonamide, N-hydroxy-4-(5-methyl-3-phenyl-4-isoxazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, N-hydroxy-4-(5-methyl-3-phenyl-4-isoxazolyl)-
- N-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
- N-Hydroxy-4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide monohydrate
- 501093-49-8
- CHEMBL1182611
- SCHEMBL5481289
- DTXSID30458535
- N-hydroxy-4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide hydrate
- UNII-6M6L09OU0A
- CHEMBL254418
- BDBM50229774
- PD119532
- N-hydroxy-4-(5-methyl-3-phenyl-4-isoxazolyl)-benzenesulfonamide
- Q27265142
- 6M6L09OU0A
- Valdecoxib metabolite M2
- n-hydroxy-4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide
-
- Inchi： 1S/C16H14N2O4S/c1-11-15(16(17-22-11)13-5-3-2-4-6-13)12-7-9-14(10-8-12)23(20,21)18-19/h2-10,18-19H,1H3
- InChI Key： ONTHNDYCEKOFIC-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)C1=C(C)ON=C1C1C=CC=CC=1)(NO)(=O)=O
Computed Properties
- Exact Mass: 330.06752
- Monoisotopic Mass: 330.06742811g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 479
- 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: 2.5
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 92.43
Benzenesulfonamide, N-hydroxy-4-(5-methyl-3-phenyl-4-isoxazolyl)- Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
501093-49-8 (Benzenesulfonamide, N-hydroxy-4-(5-methyl-3-phenyl-4-isoxazolyl)-) Related Products
- 386273-25-2(3-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide)
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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