General Information of the Compound
Compound ID
CP0570114
Compound Name
2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
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Structure
Formula
C19H14Cl2N2O3S
Molecular Weight
421.305
Canonical SMILES
Clc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccccc2)c(Cl)c1
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InChI
InChI=1S/C19H14Cl2N2O3S/c20-13-6-11-17(18(21)12-13)19(24)22-14-7-9-16(10-8-14)27(25,26)23-15-4-2-1-3-5-15/h1-12,23H,(H,22,24)
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InChIKey
LNUTUGZHBGDTOU-UHFFFAOYSA-N
Physicochemical Property
logP
5.0465
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 5157334
ChEMBL ID
CHEMBL4852965
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: PT06792, Probable G-protein coupled receptor 27
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 457.09 nM
   TI
   LI
   LO
   TS
2
EC50 = 912 nM
   TI
   LI
   LO
   TS