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Summary

Name:3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
Formula:C14 H7 Cl2 F N2 O4 S
Formal charge:0
Molecular weight:389.186 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
OpenEye OEToolkits1.7.63-[5-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FS(=O)(=O)c3cccc(c1nnc(o1)c2cc(Cl)c(O)c(Cl)c2)c3
InChIInChI1.03InChI=1S/C14H7Cl2FN2O4S/c15-10-5-8(6-11(16)12(10)20)14-19-18-13(23-14)7-2-1-3-9(4-7)24(17,21)22/h1-6,20H
InChIKeyInChI1.03QNTFSMWZVMUNMD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Oc1c(Cl)cc(cc1Cl)c2oc(nn2)c3cccc(c3)[S](F)(=O)=O
SMILESCACTVS3.370Oc1c(Cl)cc(cc1Cl)c2oc(nn2)c3cccc(c3)[S](F)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl
171916
PDB entries from 2020-12-02