Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1CP9

Summary
Name:N-[2-(methanesulfonamido)ethyl]-4-(trifluoromethyl)benzamide
Formula:C11 H13 F3 N2 O3 S
Formal charge:0
Formula weight:310.293 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-[2-(methanesulfonamido)ethyl]-4-(trifluoromethyl)benzamide
OpenEye OEToolkits3.1.0.0~{N}-[2-(methylsulfonylamino)ethyl]-4-(trifluoromethyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52FC(F)(F)c1ccc(cc1)C(=O)NCCNS(C)(=O)=O
InChIInChI1.06InChI=1S/C11H13F3N2O3S/c1-20(18,19)16-7-6-15-10(17)8-2-4-9(5-3-8)11(12,13)14/h2-5,16H,6-7H2,1H3,(H,15,17)
InChIKeyInChI1.06NMZHKKIUXKKTAU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)NCCNC(=O)c1ccc(cc1)C(F)(F)F
SMILESCACTVS3.385C[S](=O)(=O)NCCNC(=O)c1ccc(cc1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CS(=O)(=O)NCCNC(=O)c1ccc(cc1)C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0CS(=O)(=O)NCCNC(=O)c1ccc(cc1)C(F)(F)F

253795

PDB entries from 2026-05-20

PDB statisticsPDBj update infoContact PDBjnumon