General Information of the Compound
Compound ID
CP0543766
Compound Name
(E)-N,2-diphenylethenesulfonamide
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Structure
Formula
C14H13NO2S
Molecular Weight
259.33
Canonical SMILES
O=S(=O)(Nc1ccccc1)\C=C\c1ccccc1
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InChI
InChI=1S/C14H13NO2S/c16-18(17,15-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,15H/b12-11+
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InChIKey
HYCDTYSFDAEELD-VAWYXSNFSA-N
Physicochemical Property
logP
3.0992
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 685506
SID: 26738404
ChEMBL ID
CHEMBL463270
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: PT04367, Nuclear factor erythroid 2-related factor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 10000 nM
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   LI
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   TS