General Information of the Compound
Compound ID
CP0042864
Compound Name
3-Methoxy-N-(quinolin-3-yl)benzenesulfonamide
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Structure
Formula
C16H14N2O3S
Molecular Weight
314.366
Canonical SMILES
COc1cccc(c1)S(=O)(=O)Nc1cnc2ccccc2c1
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InChI
InChI=1S/C16H14N2O3S/c1-21-14-6-4-7-15(10-14)22(19,20)18-13-9-12-5-2-3-8-16(12)17-11-13/h2-11,18H,1H3
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InChIKey
ZFJQQHKRCMKRHH-UHFFFAOYSA-N
Physicochemical Property
logP
3.0442
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
68.29
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: 16654645
SID: 87225199
ChEMBL ID
CHEMBL565461
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: PT01329, Alkaline phosphatase, tissue-nonspecific isozyme
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 25800 nM