General Information of the Compound
Compound ID
CP0195678
Compound Name
4-nitro-N-quinolin-8-ylbenzenesulfonamide
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Synonyms
33757-62-9
4-nitro-N-(8-quinolyl)benzenesulfonamide
4-nitro-N-(quinolin-8-yl)benzene-1-sulfonamide
4-nitro-N-(quinolin-8-yl)benzenesulfonamide
4-nitro-N-quinolin-8-ylbenzenesulfonamide
AC1NAKSM
AKOS024374275
BDBM50372514
Benzenesulfonamide, 4-nitro-N-8-quinolinyl-
CHEMBL540966
CTK1B1556
CU-00000000141-1
DTXSID90403445
MCULE-8526334160
MolPort-007-041-512
N-(8-Quinolyl)-4-nitrobenzenesulfonamide
NCGC00161718-01
SCHEMBL13485922
ST51013795
ZINC5681580
[(4-nitrophenyl)sulfonyl]-8-quinolylamine
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Structure
Formula
C15H11N3O4S
Molecular Weight
329.337
Canonical SMILES
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2cccnc12
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InChI
InChI=1S/C15H11N3O4S/c19-18(20)12-6-8-13(9-7-12)23(21,22)17-14-5-1-3-11-4-2-10-16-15(11)14/h1-10,17H
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InChIKey
HXWOKTOKXJLLRZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.9438
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
102.2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 4453505
ChEMBL ID
CHEMBL540966
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: PT05222, NF-kappa-B inhibitor alpha
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000106 OCI-Ly3
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 6500 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 17000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-nitro-N-(quinolin-8-yl)benzenesulfonamide )
Drug Name 4-nitro-N-(quinolin-8-yl)benzenesulfonamide