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Summary Geometry Related PDB entries

QOY

Summary

Name:	5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide
Formula:	C13 H11 Cl N4 O3 S
Formal charge:	0
Formula weight:	338.769 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide
OpenEye OEToolkits	2.0.7	5-chloranyl-2-methoxy-~{N}-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n21cccc(c1ncn2)NS(=O)(c3c(OC)ccc(Cl)c3)=O
InChI	InChI	1.03	InChI=1S/C13H11ClN4O3S/c1-21-11-5-4-9(14)7-12(11)22(19,20)17-10-3-2-6-18-13(10)15-8-16-18/h2-8,17H,1H3
InChIKey	InChI	1.03	VLSIKQJXWTXQPQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(Cl)cc1[S](=O)(=O)Nc2cccn3ncnc23
SMILES	CACTVS	3.385	COc1ccc(Cl)cc1[S](=O)(=O)Nc2cccn3ncnc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccc(cc1S(=O)(=O)Nc2cccn3c2ncn3)Cl
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1S(=O)(=O)Nc2cccn3c2ncn3)Cl

226262

PDB entries from 2024-10-16

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