General Information of the Compound
Compound ID
CP0555633
Compound Name
4-methoxy-N-(4-methoxy-2,6-dimethylphenyl)benzenesulfonamide
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Structure
Formula
C16H19NO4S
Molecular Weight
321.398
Canonical SMILES
COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(OC)cc1C
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InChI
InChI=1S/C16H19NO4S/c1-11-9-14(21-4)10-12(2)16(11)17-22(18,19)15-7-5-13(20-3)6-8-15/h5-10,17H,1-4H3
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InChIKey
NNHBFMKUJCKZBD-UHFFFAOYSA-N
Physicochemical Property
logP
3.12144
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
64.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 118707084
ChEMBL ID
CHEMBL3311198
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: PT04427, Free fatty acid receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 398.11 nM
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