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Summary Geometry Related PDB entries

H7M

Summary

Name:	3-chloro-2-hydroxy-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide
Formula:	C15 H13 Cl N4 O3 S2
Formal charge:	0
Formula weight:	396.872 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-chloro-2-hydroxy-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide
OpenEye OEToolkits	2.0.6	3-chloranyl-~{N}-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-oxidanyl-benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2cc(c(NS(c1c(c(ccc1)Cl)O)(=O)=O)cc2)Sc3n(C)cnn3
InChI	InChI	1.03	InChI=1S/C15H13ClN4O3S2/c1-20-9-17-18-15(20)24-12-7-3-2-6-11(12)19-25(22,23)13-8-4-5-10(16)14(13)21/h2-9,19,21H,1H3
InChIKey	InChI	1.03	DNTLDOPFKLUBET-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cnnc1Sc2ccccc2N[S](=O)(=O)c3cccc(Cl)c3O
SMILES	CACTVS	3.385	Cn1cnnc1Sc2ccccc2N[S](=O)(=O)c3cccc(Cl)c3O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cn1cnnc1Sc2ccccc2NS(=O)(=O)c3cccc(c3O)Cl
SMILES	OpenEye OEToolkits	2.0.6	Cn1cnnc1Sc2ccccc2NS(=O)(=O)c3cccc(c3O)Cl

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