General Information of the Compound
Compound ID
CP0501261
Compound Name
1-(4-chlorophenyl)-2-(phenylsulfonyl)ethanone
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Synonyms
1-(4-Chlorophenyl)-2-(phenylsulfonyl)ethanone
1-(4-chlorophenyl)-2-(phenylsulfonyl)-1-ethanone
1-(4-chlorophenyl)-2-(phenylsulfonyl)ethanone
2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone
38488-19-6
4'-CHLORO-2(PHENYL SULFONYL)ACETOPHENONE
4-Chlorophenacylphenyl sulfone
7H-330S
AC1LBPW5
AF-731/00081054
AKOS003310153
BDBM50212531
CCG-43075
CHEMBL238834
CTK6G9147
Ethanone, 1-(4-chlorophenyl)-2-phenylsulfonyl-
KS-00001Z91
KZACHGLUJYSTGQ-UHFFFAOYSA-N
MCULE-9299558448
MolPort-002-876-864
SCHEMBL10931021
ST50308734
ZINC58239
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Structure
Formula
C14H11ClO3S
Molecular Weight
294.759
Canonical SMILES
Clc1ccc(cc1)C(=O)CS(=O)(=O)c1ccccc1
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InChI
InChI=1S/C14H11ClO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9H,10H2
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InChIKey
KZACHGLUJYSTGQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.9966
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
51.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 586971
SID: 17502204
ChEMBL ID
CHEMBL238834
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 = 200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(4-chlorophenyl)-2-(phenylsulfonyl)ethanone )
Drug Name 1-(4-chlorophenyl)-2-(phenylsulfonyl)ethanone
Target(s)
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)
 Target Info 
Inhibitor