Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

0U7

Summary
Name:3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
Formula:C14 H7 Cl2 F N2 O3 S
Formal charge:0
Formula weight:373.186 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FS(=O)(=O)c3cccc(c1nnc(o1)c2cc(Cl)cc(Cl)c2)c3
InChIInChI1.03InChI=1S/C14H7Cl2FN2O3S/c15-10-4-9(5-11(16)7-10)14-19-18-13(22-14)8-2-1-3-12(6-8)23(17,20)21/h1-7H
InChIKeyInChI1.03XFQASTJKVRWJHI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370F[S](=O)(=O)c1cccc(c1)c2oc(nn2)c3cc(Cl)cc(Cl)c3
SMILESCACTVS3.370F[S](=O)(=O)c1cccc(c1)c2oc(nn2)c3cc(Cl)cc(Cl)c3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(cc(c3)Cl)Cl
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(cc(c3)Cl)Cl

223532

数据于2024-08-07公开中

PDB statisticsPDBj update infoContact PDBjnumon