General Information of the Compound
Compound ID
CP0232467
Compound Name
2-amino-N-quinolin-8-ylbenzenesulfonamide
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Synonyms
16082-64-7
2-AMINO-N-QUINOLINE-8-YL-BENZENESULFONAM
2-Amino-N-quinolin-8-yl-benzenesulfonamide
2-amino-N-(quinolin-8-yl)benzenesulfonamide
2-amino-N-quinolin-8-ylbenzenesulfonamide
2-amino-n-quinoline-8-yl-benzenesulfonamide
AB00074880-01
AC1LLN9A
AKOS000154013
BDBM50372507
CBDivE_007127
CCG-15219
CHEMBL256062
CTK4D0607
Cambridge id 5175136
DNDI1417207
DTXSID90360049
MFCD00168987
NCGC00161683-01
NCGC00161683-02
NCGC00161683-03
NCGC00161683-04
NIOOKXAMJQVDGB-UHFFFAOYSA-N
Oprea1_584159
QBS
SCHEMBL460773
ZINC758699
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Structure
Formula
C15H13N3O2S
Molecular Weight
299.355
Canonical SMILES
Nc1ccccc1S(=O)(=O)Nc1cccc2cccnc12
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InChI
InChI=1S/C15H13N3O2S/c16-12-7-1-2-9-14(12)21(19,20)18-13-8-3-5-11-6-4-10-17-15(11)13/h1-10,18H,16H2
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InChIKey
NIOOKXAMJQVDGB-UHFFFAOYSA-N
Physicochemical Property
logP
2.6178
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
85.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 1070159
SID: 16254137
ChEMBL ID
CHEMBL256062
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 = 8500 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 11000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06104, Solute carrier family 40 member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK
 Cell Line Info 
Canis lupus familiaris (Dog)  1
1
IC50 = 20800 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-amino-N-(quinolin-8-yl)benzenesulfonamide )
Drug Name 2-amino-N-(quinolin-8-yl)benzenesulfonamide