General Information of the Compound
Compound ID
CP0147281
Compound Name
2-methyl-N-propan-2-yl-N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
    Show/Hide
Structure
Formula
C19H22F3NO3S
Molecular Weight
401.45
Canonical SMILES
CC(C)N(c1ccc(cc1)C(C)(O)C(F)(F)F)S(=O)(=O)c1ccccc1C
    Show/Hide
InChI
InChI=1S/C19H22F3NO3S/c1-13(2)23(27(25,26)17-8-6-5-7-14(17)3)16-11-9-15(10-12-16)18(4,24)19(20,21)22/h5-13,24H,1-4H3
    Show/Hide
InChIKey
YRIRMNRRNPZVBT-UHFFFAOYSA-N
Physicochemical Property
logP
4.36852
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
57.61
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 70683819
ChEMBL ID
CHEMBL2035410
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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 11.2 nM
   TI
   LI
   LO
   TS
2
IC50 = 91 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.1 nM