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QTG

Summary
Name:4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide
Formula:C10 H14 F N O2 S
Formal charge:0
Formula weight:231.287 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-fluoro-2-methyl-N-propylbenzene-1-sulfonamide
OpenEye OEToolkits2.0.74-fluoranyl-2-methyl-~{N}-propyl-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(c(cc(c1)F)C)S(NCCC)(=O)=O
InChIInChI1.03InChI=1S/C10H14FNO2S/c1-3-6-12-15(13,14)10-5-4-9(11)7-8(10)2/h4-5,7,12H,3,6H2,1-2H3
InChIKeyInChI1.03LGSOITBLNVRJPM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCN[S](=O)(=O)c1ccc(F)cc1C
SMILESCACTVS3.385CCCN[S](=O)(=O)c1ccc(F)cc1C
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCNS(=O)(=O)c1ccc(cc1C)F
SMILESOpenEye OEToolkits2.0.7CCCNS(=O)(=O)c1ccc(cc1C)F

222415

PDB entries from 2024-07-10

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