4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoromethyl)propylidene]amino]benzenesulfonamide
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![4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoromethyl)propylidene]amino]benzenesulfonamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/87c05df927514f939b280abafb164513.png "4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoromethyl)propylidene]amino]benzenesulfonamide")
4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoromethyl)propylidene]amino]benzenesulfonamide
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CAS No:
1061214-09-2
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Formula:
C17H15F3N2O3S
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Chemical Name:
4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoromethyl)propylidene]amino]benzenesulfonamide
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Synonyms:
Benzenesulfonamide,4-[[3-(4-methylphenyl)-3-oxo-1-(trifluoromethyl)propylidene]amino]-;4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoromethyl)propylidene]amino]benzenesulfonamide
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CAS No:
4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoromethyl)propylidene]amino]benzenesulfonamide Basic Attributes
384.37
384.37
4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoromethyl)propylidene]amino]benzenesulfonamide Use and Manufacturing
4-[[3-(4-Methylphenyl)-3-oxo-1-(trifluoromethyl)propylidene]amino]benzenesulfonamide, is an impurity of Celecoxib (C251000), which is a selective cyclooxygenase-2 (COX-2) inhibitor, an anti-inflammatory agent. It is also used in treatment of familial adenomatous polyposis.
Computed Properties
Molecular Weight:384.4
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:384.07554800
Monoisotopic Mass:384.07554800
Topological Polar Surface Area:98
Heavy Atom Count:26
Complexity:625
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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