General Information of the Compound
Compound ID
CP0538654
Compound Name
5-chloro-N-[(4-chlorophenyl)methyl]-3-ethyl-1H-indole-2-sulfonamide
    Show/Hide
Structure
Formula
C17H16Cl2N2O2S
Molecular Weight
383.3
Canonical SMILES
CCc1c([nH]c2ccc(Cl)cc12)S(=O)(=O)NCc1ccc(Cl)cc1
    Show/Hide
InChI
InChI=1S/C17H16Cl2N2O2S/c1-2-14-15-9-13(19)7-8-16(15)21-17(14)24(22,23)20-10-11-3-5-12(18)6-4-11/h3-9,20-21H,2,10H2,1H3
    Show/Hide
InChIKey
DQYUAGGCSUQFEM-UHFFFAOYSA-N
Physicochemical Property
logP
4.5156
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
24

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 66547417
SID: 152139915
ChEMBL ID
CHEMBL4551143
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS