General Information of the Compound
Compound ID
CP0397729
Compound Name
4-tert-butyl-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide
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Structure
Formula
C19H20N2O3S
Molecular Weight
356.447
Canonical SMILES
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2ncccc12
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InChI
InChI=1S/C19H20N2O3S/c1-19(2,3)13-6-8-14(9-7-13)25(23,24)21-16-10-11-17(22)18-15(16)5-4-12-20-18/h4-12,21-22H,1-3H3
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InChIKey
GMVIQOFCAZWKRR-UHFFFAOYSA-N
Physicochemical Property
logP
4.0387
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
79.29
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 25044677
ChEMBL ID
CHEMBL3360258
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: PT03034, Cytochrome b-c1 complex subunit 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 20000 nM
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