General Information of the Compound
Compound ID
CP0204555
Compound Name
2-chloro-N-(1,3-difluoropropan-2-yl)-N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
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Structure
Formula
C18H17ClF5NO3S
Molecular Weight
457.848
Canonical SMILES
CC(O)(c1ccc(cc1)N(C(CF)CF)S(=O)(=O)c1ccccc1Cl)C(F)(F)F
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InChI
InChI=1S/C18H17ClF5NO3S/c1-17(26,18(22,23)24)12-6-8-13(9-7-12)25(14(10-20)11-21)29(27,28)16-5-3-2-4-15(16)19/h2-9,14,26H,10-11H2,1H3
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InChIKey
XTIQYLCZJKCCAR-UHFFFAOYSA-N
Physicochemical Property
logP
4.6127
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
57.61
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
29

"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).

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PubChem ID
CID: 70690116
ChEMBL ID
CHEMBL2035428
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 = 29 nM
   TI
   LI
   LO
   TS
2
IC50 = 162 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 19 nM