General Information of the Compound
Compound ID
CP0481934
Compound Name
N-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
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Structure
Formula
C15H16ClNO3S
Molecular Weight
325.817
Canonical SMILES
COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(Cl)cc1C
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InChI
InChI=1S/C15H16ClNO3S/c1-10-8-12(16)9-11(2)15(10)17-21(18,19)14-6-4-13(20-3)5-7-14/h4-9,17H,1-3H3
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InChIKey
NQRHYCHKCJXYEJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.76624
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 118707083
ChEMBL ID
CHEMBL3311197
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 = 501.19 nM
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