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NBJ

Summary
Name:N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
Formula:C13 H10 F I N2 O3 S
Formal charge:0
Formula weight:420.198 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
OpenEye OEToolkits2.0.7~{N}'-(2-fluorophenyl)sulfonyl-3-iodanyl-benzohydrazide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(c1cc(I)ccc1)(NNS(c2c(cccc2)F)(=O)=O)=O
InChIInChI1.03InChI=1S/C13H10FIN2O3S/c14-11-6-1-2-7-12(11)21(19,20)17-16-13(18)9-4-3-5-10(15)8-9/h1-8,17H,(H,16,18)
InChIKeyInChI1.03WRILZXKUOHKYFI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccccc1[S](=O)(=O)NNC(=O)c2cccc(I)c2
SMILESCACTVS3.385Fc1ccccc1[S](=O)(=O)NNC(=O)c2cccc(I)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cccc(c2)I
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cccc(c2)I

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PDB entries from 2024-07-17

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