Molecular Details
DICL_CP_0333306
- 4-chloro-N-(furan-2-ylmethyl)-3-nitrobenzenesulfonamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0333306
PubChem CID
Molecular Formula
C11H9ClN2O5S Molecular Weight
316.722 g/mol
Synonyms/Alias
[AKOS000595633; WAY-299560; 4-chloro-3-nitro-N-furfurylbenzenesulfonamide]
InChI Key
IDPWHJNXHARDIW-UHFFFAOYSA-N
InChI
InChI=1S/C11H9ClN2O5S/c12-10-4-3-9(6-11(10)14(15)16)20(17,18)13-7-8-2-1-5-19-8/h1-6,13H,7H2
IUPAC Name
4-chloro-N-(furan-2-ylmethyl)-3-nitrobenzenesulfonamide
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
29 30 0 0 0 0 0 0 0 0999 V2000
-4.4408 0.9813 1.4717 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9923 0.8323 0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0638 0.456...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily C member 1
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 11300 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−88 to 32 mV mV
Temperature
37 °C
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
20
Rotatable Bonds
5
logP
2.3197
Complexity
70.8399
TPSA (Ų)
102.45
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
2