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- ChemComp-QOV: 5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)... -

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Basic information

EntryDatabase: PDB chemical components / ID: QOV
NameName: 5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide

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Chemical information

Composition
Formula: C14H13ClN4O3S / Number of atoms: 36 / Formula weight: 352.796 / Formal charge: 0
Others

6v5o
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: QOV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6V5O
History
Create componentDec 5, 2019
Initial releaseDec 8, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01n12cccc(c1nc(n2)C)NS(c3c(OC)ccc(Cl)c3)(=O)=O
CACTVS 3.385COc1ccc(Cl)cc1[S](=O)(=O)Nc2cccn3nc(C)nc23
OpenEye OEToolkits 2.0.7Cc1nc2c(cccn2n1)NS(=O)(=O)c3cc(ccc3OC)Cl

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SMILES CANONICAL

CACTVS 3.385COc1ccc(Cl)cc1[S](=O)(=O)Nc2cccn3nc(C)nc23
OpenEye OEToolkits 2.0.7Cc1nc2c(cccn2n1)NS(=O)(=O)c3cc(ccc3OC)Cl

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InChI

InChI 1.03InChI=1S/C14H13ClN4O3S/c1-9-16-14-11(4-3-7-19(14)17-9)18-23(20,21)13-8-10(15)5-6-12(13)22-2/h3-8,18H,1-2H3

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InChIKey

InChI 1.03HLRMNXITZQAUIH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.015-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide
OpenEye OEToolkits 2.0.75-chloranyl-2-methoxy-~{N}-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide

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PDB entries

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PDB-7knx:
Crystal structure of SND1 in complex with C-26-A6

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