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

PK4

Summary
Name:2-fluoro-N,3-dimethylbenzene-1-sulfonamide
Formula:C8 H10 F N O2 S
Formal charge:0
Formula weight:203.234 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-fluoro-N,3-dimethylbenzene-1-sulfonamide
OpenEye OEToolkits2.0.62-fluoranyl-~{N},3-dimethyl-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CNS(c1c(c(C)ccc1)F)(=O)=O
InChIInChI1.03InChI=1S/C8H10FNO2S/c1-6-4-3-5-7(8(6)9)13(11,12)10-2/h3-5,10H,1-2H3
InChIKeyInChI1.03PXJRMCHXJXWNJG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN[S](=O)(=O)c1cccc(C)c1F
SMILESCACTVS3.385CN[S](=O)(=O)c1cccc(C)c1F
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cccc(c1F)S(=O)(=O)NC
SMILESOpenEye OEToolkits2.0.6Cc1cccc(c1F)S(=O)(=O)NC

225158

PDB entries from 2024-09-18

PDB statisticsPDBj update infoContact PDBjnumon