General Information of the Compound
Compound ID
CP0030614
Compound Name
4-methyl-N-(8-quinolinyl)benzenesulfonamide
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Structure
Formula
C16H14N2O2S
Molecular Weight
298.367
Canonical SMILES
Cc1ccc(cc1)S(=O)(=O)Nc1cccc2cccnc12
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InChI
InChI=1S/C16H14N2O2S/c1-12-7-9-14(10-8-12)21(19,20)18-15-6-2-4-13-5-3-11-17-16(13)15/h2-11,18H,1H3
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InChIKey
ZSMKPYXVUIWTCT-UHFFFAOYSA-N
CAS
10304-39-9
Physicochemical Property
logP
3.34402
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
59.06
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: 82533
SID: 57575812
ChEMBL ID
CHEMBL1487635
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 17782.8 nM
   TI
   LI
   LO
   TS
Protein ID: PT06104, Solute carrier family 40 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 49900 nM
   TI
   LI
   LO
   TS