Molecular Details
DICL_CP_0325793
- N-butyl-4-chloro-3-nitrobenzenesulfonamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0325793
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
4.3782 1.9832 0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1049 1.3491 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6573 0.164...
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: 9300 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
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