Molecular Details
DICL_CP_0325792
- N-butyl-4-chloro-3-nitrobenzenesulfonamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0325792
PubChem CID
Molecular Formula
C10H13ClN2O4S Molecular Weight
292.744 g/mol
Synonyms/Alias
[96-61-7; N-butyl-4-chloro-3-nitrobenzenesulfonamide; N-Butyl-4-chloro-3-nitrobenzenesulphonamide; Benzenesulfonamide; N-butyl-4-chloro-3-nitro-; WKR5Q776YK; NSC-166884; N-Butyl-4-chloro-3-nitro-benze...
InChI Key
LODDEMCQPHNFSJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H13ClN2O4S/c1-2-3-6-12-18(16,17)8-4-5-9(11)10(7-8)13(14)15/h4-5,7,12H,2-3,6H2,1H3
IUPAC Name
N-butyl-4-chloro-3-nitrobenzenesulfonamide
CAS Number
68003-38-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
31 31 0 0 0 0 0 0 0 0999 V2000
-4.0494 -0.4110 1.4302 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8550 -0.4586 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5440 -1.149...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily C member 1
Uniprot Accession Number
Function
Blocker
Species
Mus musculus (Mouse)
IC50
IC50: 10000 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 mV mV
Temperature
23 °C
Test Method
Patch-clamping
Test Species
L-929 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
6
logP
2.3266
Complexity
68.2029
TPSA (Ų)
89.31
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
1