General Information of the Compound
Compound ID
CP0473900
Compound Name
3-Chloro-N-[4-(piperidine-1-carbonyl)benzyl]benzenesulfonamide
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Structure
Formula
C19H21ClN2O3S
Molecular Weight
392.908
Canonical SMILES
Clc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)N1CCCCC1
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InChI
InChI=1S/C19H21ClN2O3S/c20-17-5-4-6-18(13-17)26(24,25)21-14-15-7-9-16(10-8-15)19(23)22-11-2-1-3-12-22/h4-10,13,21H,1-3,11-12,14H2
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InChIKey
PSQUELAMSHLVKP-UHFFFAOYSA-N
Physicochemical Property
logP
3.4446
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 984480
ChEMBL ID
CHEMBL561207
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: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 131 nM
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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
IC50 = 647 nM
   TI
   LI
   LO
   TS