3,4-Bis(phenylsulfonyl)-1,2,5-oxadiazole 2-Oxide - CAS 66074-00-8

Catalog:	BB032898
Product Name:	3,4-Bis(phenylsulfonyl)-1,2,5-oxadiazole 2-Oxide
CAS:	66074-00-8
Synonyms:	3,4-bis(benzenesulfonyl)-2-oxido-1,2,5-oxadiazol-2-ium; 3,4-bis(benzenesulfonyl)-2-oxido-1,2,5-oxadiazol-2-ium

Technical Data

Patents

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Computed Properties

IUPAC Name:	3,4-bis(benzenesulfonyl)-2-oxido-1,2,5-oxadiazol-2-ium
Description:	3,4-Bis(phenylsulfonyl)-1,2,5-oxadiazole 2-Oxide (CAS# 66074-00-8 ) is a useful research chemical.
Molecular Weight:	366.37
Molecular Formula:	C14H10N2O6S2
Canonical SMILES:	C1=CC=C(C=C1)S(=O)(=O)C2=NO[N+](=C2S(=O)(=O)C3=CC=CC=C3)[O-]
InChI:	InChI=1S/C14H10N2O6S2/c17-16-14(24(20,21)12-9-5-2-6-10-12)13(15-22-16)23(18,19)11-7-3-1-4-8-11/h1-10H
InChI Key:	PLIHJANRRMFJCC-UHFFFAOYSA-N
LogP:	3.93030

Publication Number	Title	Priority Date
CN-112390765-A	Multi-target antitumor retinoid derivative and synthesis method and application thereof	20201116
CN-108299415-A	A kind of quinoline quinone derivative and preparation method and purposes	20180131
CN-108299415-B	Quinolinequinone derivative and preparation method and application thereof	20180131
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CN-107417678-B	Nitric oxide donor type dihydromyricetin derivative and preparation and application thereof	20170625

PMID	Publication Date	Title	Journal
20889239	20101201	Massive screening yields novel and selective Trypanosoma cruzi triosephosphate isomerase dimer-interface-irreversible inhibitors with anti-trypanosomal activity	European journal of medicinal chemistry
20684594	20100812	Phenylsulfonylfuroxans as modulators of multidrug-resistance-associated protein-1 and P-glycoprotein	Journal of medicinal chemistry
18706821	20080901	Furoxan-, alkylnitrate-derivatives and related compounds as anti-trypanosomatid agents: mechanism of action studies	Bioorganic & medicinal chemistry
15027876	20040325	Design and synthesis of 3'- and 5'-O-(3-benzenesulfonylfuroxan-4-yl)-2'-deoxyuridines: biological evaluation as hybrid nitric oxide donor-nucleoside anticancer agents	Journal of medicinal chemistry

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Related Functional Groups

Oxadiazole/Thiadiazole

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Complexity:	627
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	365.99802839
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	365.99802839
Rotatable Bond Count:	4
Topological Polar Surface Area:	137
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2