General Information of the Compound
Compound ID
CP0499410
Compound Name
CHEBI:79403
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Synonyms
2-{[(1E)-2-(2-hydroxyphenyl)-1-azavinyl]sulfonyl}thiophene
AC1NT7F3
AC1NX3H6
AC1O9WJ4
AKOS001033013
AS-871/40346888
BIM-0024487P001
CCG-13754
CHEMBL3193745
MLS000048634
MolPort-000-689-338
MolPort-035-831-874
N-(2-hydroxybenzylidene)-2-thiophenesulfonamide
N-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]thiophene-2-sulfonamide
N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]thiophene-2-sulfonamide
SMR000060871
SR-01000030268
SR-01000030268-1
ST021762
Thiophene sulfonamide
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Structure
Formula
C4H5NO2S2
Molecular Weight
163.223
Canonical SMILES
NS(=O)(=O)c1cccs1
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InChI
InChI=1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)
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InChIKey
KTFDYVNEGTXQCV-UHFFFAOYSA-N
CAS
6339-87-3
Physicochemical Property
logP
0.3955
Rotatable Bonds
1
Heavy Atom Count
9
Polar Areas
60.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
9

"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: 72881
SID: 16044626
ChEMBL ID
CHEMBL3265256
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: PT02289, Serine/threonine-protein kinase/endoribonuclease IRE1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 20000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Thiophene sulfonamide )
Drug Name Thiophene sulfonamide
Indication
Malaria
Investigative
Target(s)
Plasmodium CDK Pfmrk (Malaria Pfmrk)
Inhibitor