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 |
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 |
CN-107417678-A | Nitric oxide donator type dihydromyricetin derivative and its preparation and application | 20170625 |
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 |
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 |
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