General Information of the Compound
Compound ID
CP0270777
Compound Name
N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
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Structure
Formula
C15H17NO4S
Molecular Weight
307.371
Canonical SMILES
COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(O)cc1C
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InChI
InChI=1S/C15H17NO4S/c1-10-8-12(17)9-11(2)15(10)16-21(18,19)14-6-4-13(20-3)5-7-14/h4-9,16-17H,1-3H3
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InChIKey
UXSFANIQULVRMS-UHFFFAOYSA-N
Physicochemical Property
logP
2.81844
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
75.63
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 2906141
ChEMBL ID
CHEMBL2440218
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 > 31622.78 nM
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