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

7KM

Summary
Name:4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
Formula:C20 H17 F N2 O3 S
Formal charge:0
Formula weight:384.424 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
OpenEye OEToolkits2.0.62-fluoranyl-3-methyl-5-phenyl-~{N}'-(phenylsulfonyl)benzohydrazide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3c(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)cccc3
InChIInChI1.03InChI=1S/C20H17FN2O3S/c1-14-12-16(15-8-4-2-5-9-15)13-18(19(14)21)20(24)22-23-27(25,26)17-10-6-3-7-11-17/h2-13,23H,1H3,(H,22,24)
InChIKeyInChI1.03PHHZKBMVRPULAW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)c3ccccc3
SMILESCACTVS3.385Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccc3
SMILESOpenEye OEToolkits2.0.6Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccc3

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon