m3M3FBS   Click here for help

GtoPdb Ligand ID: 5097

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 54.55
Molecular weight 343.09
XLogP 4.53
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1cc(C)c(c(c1)C)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
Isomeric SMILES Cc1cc(C)c(c(c1)C)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
InChI InChI=1S/C16H16F3NO2S/c1-10-7-11(2)15(12(3)8-10)23(21,22)20-14-6-4-5-13(9-14)16(17,18)19/h4-9,20H,1-3H3
InChI Key ZIIUUSVHCHPIQD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide
Database Links Click here for help
CAS Registry No. 200933-14-8
ChEMBL Ligand CHEMBL1394135
GtoPdb PubChem SID 178101790
PubChem CID 761523
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UniChem Connectivity Search for chemical match using the InChIKey ZIIUUSVHCHPIQD-UHFFFAOYSA-N

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Tocris
m-3M3FBS
Cat. No. 1941