SB-611812   Click here for help

GtoPdb Ligand ID: 3531

Synonyms: SB611812
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 67.02
Molecular weight 489.99
XLogP 5.27
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCOc1cc(ccc1Cl)NS(=O)(=O)c1c(Cl)cc(cc1Cl)C(F)(F)F)C
Isomeric SMILES CN(CCOc1cc(ccc1Cl)NS(=O)(=O)c1c(Cl)cc(cc1Cl)C(F)(F)F)C
InChI InChI=1S/C17H16Cl3F3N2O3S/c1-25(2)5-6-28-15-9-11(3-4-12(15)18)24-29(26,27)16-13(19)7-10(8-14(16)20)17(21,22)23/h3-4,7-9,24H,5-6H2,1-2H3
InChI Key UIZHOFJFIOCYLH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2,6-dichloro-N-[4-chloro-3-(2-dimethylaminoethoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide
Synonyms Click here for help
SB611812
Database Links Click here for help
CAS Registry No. 345892-71-9 (source: Scifinder)
ChEMBL Ligand CHEMBL1164033
GtoPdb PubChem SID 178100510
PubChem CID 10278166
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SB 611812
Cat. No. 4670