General Information of the Compound
Compound ID
CP0501262
Compound Name
1-(4-nitrophenyl)-2-(phenylsulfonyl)ethanone
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Synonyms
1-(4-nitrophenyl)-2-(phenylsulfonyl)ethanone
38488-17-4
4-Nitrophenacylphenyl sulfone
AKOS003309631
BDBM50212551
CHEMBL393284
CTK1B4829
DTXSID80456743
Ethanone, 1-(4-nitrophenyl)-2-(phenylsulfonyl)-
SCHEMBL6908652
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Structure
Formula
C14H11NO5S
Molecular Weight
305.311
Canonical SMILES
[O-][N+](=O)c1ccc(cc1)C(=O)CS(=O)(=O)c1ccccc1
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InChI
InChI=1S/C14H11NO5S/c16-14(11-6-8-12(9-7-11)15(17)18)10-21(19,20)13-4-2-1-3-5-13/h1-9H,10H2
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InChIKey
GBLYERGOMLTORH-UHFFFAOYSA-N
Physicochemical Property
logP
2.2514
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
94.35
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 11141268
SID: 16219009
ChEMBL ID
CHEMBL393284
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1310 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(4-nitrophenyl)-2-(phenylsulfonyl)ethanone )
Drug Name 1-(4-nitrophenyl)-2-(phenylsulfonyl)ethanone
Target(s)
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)
 Target Info 
Inhibitor