General Information of the Compound
Compound ID
CP0399403
Compound Name
1-(3,4-dichlorophenyl)-2-(phenylsulfonyl)ethanone
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Synonyms
1-(3,4-dichlorophenyl)-2-(phenylsulfonyl)-1-ethanone
1-(3,4-dichlorophenyl)-2-(phenylsulfonyl)ethanone
2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone
344266-52-0
7H-370S
AC1LS77V
AKOS005097772
BDBM50212532
CHEMBL238835
KS-00001Z97
MCULE-8898035078
MolPort-002-876-897
ZINC1396961
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Structure
Formula
C14H10Cl2O3S
Molecular Weight
329.204
Canonical SMILES
Clc1ccc(cc1Cl)C(=O)CS(=O)(=O)c1ccccc1
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InChI
InChI=1S/C14H10Cl2O3S/c15-12-7-6-10(8-13(12)16)14(17)9-20(18,19)11-4-2-1-3-5-11/h1-8H,9H2
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InChIKey
LZBIUNZNOUZDPA-UHFFFAOYSA-N
Physicochemical Property
logP
3.65
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
51.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 1483443
ChEMBL ID
CHEMBL238835
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 = 101 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(3,4-dichlorophenyl)-2-(phenylsulfonyl)ethanone )
Drug Name 1-(3,4-dichlorophenyl)-2-(phenylsulfonyl)ethanone
Target(s)
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)
 Target Info 
Inhibitor