M14

2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide

Created:2008-02-07
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count49
Aromatic Bond Count18
2D diagram of M14

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Chemical Component Summary

Name2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide
SynonymsN-[4-(aminosulfonyl)-2-chlorophenyl]-2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]acetamide
Systematic Name (OpenEye OEToolkits)2-[3-chloro-5-(3-chloro-5-cyano-phenoxy)phenoxy]-N-(2-chloro-4-sulfamoyl-phenyl)ethanamide
FormulaC21 H14 Cl3 N3 O5 S
Molecular Weight526.777
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc3cc(ccc3NC(=O)COc2cc(Oc1cc(C#N)cc(Cl)c1)cc(Cl)c2)S(=O)(=O)N
SMILESCACTVS3.341N[S](=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)COc2cc(cc(c2)Cl)Oc3cc(cc(c3)Cl)C#N
Canonical SMILESCACTVS3.341 N[S](=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)COc2cc(cc(c2)Cl)Oc3cc(cc(c3)Cl)C#N
InChIInChI1.03 InChI=1S/C21H14Cl3N3O5S/c22-13-3-12(10-25)4-16(6-13)32-17-7-14(23)5-15(8-17)31-11-21(28)27-20-2-1-18(9-19(20)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30)
InChIKeyInChI1.03 GYBNBRVJAPRVLI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 16044960
ChEMBL CHEMBL255689