General Information of the Compound
Compound ID
CP0486469
Compound Name
4-(4-cyanophenyl)-N-(4,6-dimethylpyridin-2-yl)benzenesulfonamide
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Structure
Formula
C20H17N3O2S
Molecular Weight
363.442
Canonical SMILES
Cc1cc(C)nc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)c1
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InChI
InChI=1S/C20H17N3O2S/c1-14-11-15(2)22-20(12-14)23-26(24,25)19-9-7-18(8-10-19)17-5-3-16(13-21)4-6-17/h3-12H,1-2H3,(H,22,23)
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InChIKey
JBWDWAQYTUJKQF-UHFFFAOYSA-N
Physicochemical Property
logP
4.03792
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
82.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 71579772
SID: 163625196
ChEMBL ID
CHEMBL2377205
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)  1
1
EC50 = 21 nM
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