General Information of the Compound
Compound ID
CP0508187
Compound Name
4-methoxy-N-(4-methylphenyl)benzenesulfonamide
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Structure
Formula
C14H15NO3S
Molecular Weight
277.345
Canonical SMILES
COc1ccc(cc1)S(=O)(=O)Nc1ccc(C)cc1
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InChI
InChI=1S/C14H15NO3S/c1-11-3-5-12(6-4-11)15-19(16,17)14-9-7-13(18-2)8-10-14/h3-10,15H,1-2H3
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InChIKey
RKIPPGMSUIBSTG-UHFFFAOYSA-N
CAS
7230-54-8
Physicochemical Property
logP
2.80442
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 272261
ChEMBL ID
CHEMBL183267
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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