General Information of the Compound
Compound ID
CP0538655
Compound Name
5-chloro-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-sulfonamide
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Structure
Formula
C17H17ClN2O3S
Molecular Weight
364.854
Canonical SMILES
COc1ccc(CNS(=O)(=O)c2[nH]c3ccc(Cl)cc3c2C)cc1
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InChI
InChI=1S/C17H17ClN2O3S/c1-11-15-9-13(18)5-8-16(15)20-17(11)24(21,22)19-10-12-3-6-14(23-2)7-4-12/h3-9,19-20H,10H2,1-2H3
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InChIKey
WCJCYNDCNOJHGS-UHFFFAOYSA-N
Physicochemical Property
logP
3.61682
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
71.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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).

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PubChem ID
CID: 66547416
SID: 152139914
ChEMBL ID
CHEMBL4466612
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 = 500 nM
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