General Information of the Compound
Compound ID
CP0401605
Compound Name
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
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Structure
Formula
C14H22N2O3S
Molecular Weight
298.408
Canonical SMILES
COc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
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InChI
InChI=1S/C14H22N2O3S/c1-15-10-8-12(9-11-15)16(2)20(17,18)14-6-4-13(19-3)5-7-14/h4-7,12H,8-11H2,1-3H3
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InChIKey
LNGQSIFKSWPQHF-UHFFFAOYSA-N
Physicochemical Property
logP
1.4099
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
49.85
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 715058
ChEMBL ID
CHEMBL1509570
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 831 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1863 nM
   TI
   LI
   LO
   TS