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Summary Geometry Related PDB entries

QOV

Summary

Name:	5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide
Formula:	C14 H13 Cl N4 O3 S
Formal charge:	0
Formula weight:	352.796 Da
Component type:	non-polymer

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n12cccc(c1nc(n2)C)NS(c3c(OC)ccc(Cl)c3)(=O)=O
InChI	InChI	1.03	InChI=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
InChIKey	InChI	1.03	HLRMNXITZQAUIH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(Cl)cc1[S](=O)(=O)Nc2cccn3nc(C)nc23
SMILES	CACTVS	3.385	COc1ccc(Cl)cc1[S](=O)(=O)Nc2cccn3nc(C)nc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1nc2c(cccn2n1)NS(=O)(=O)c3cc(ccc3OC)Cl
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc2c(cccn2n1)NS(=O)(=O)c3cc(ccc3OC)Cl

226262

PDB entries from 2024-10-16

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