General Information of the Compound
Compound ID
CP0541572
Compound Name
N-benzyl-N-(4-phenoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
    Show/Hide
Structure
Formula
C26H20F3NO3S
Molecular Weight
483.511
Canonical SMILES
FC(F)(F)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
    Show/Hide
InChI
InChI=1S/C26H20F3NO3S/c27-26(28,29)21-11-17-25(18-12-21)34(31,32)30(19-20-7-3-1-4-8-20)22-13-15-24(16-14-22)33-23-9-5-2-6-10-23/h1-18H,19H2
    Show/Hide
InChIKey
OJIIUTWOKDZXOZ-UHFFFAOYSA-N
Physicochemical Property
logP
6.8932
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
46.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
34

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 137656584
ChEMBL ID
CHEMBL4102861
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS