Molecular Details
DICL_CP_0317172
- N-butyl-4-chlorobenzenesulfonamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0317172
PubChem CID
Molecular Formula
C10H14ClNO2S Molecular Weight
247.747 g/mol
Synonyms/Alias
[6419-73-4; Benzenesulfonamide; N-butyl-4-chloro-; n-butyl-4-chlorobenzenesulfonamide; N-Butyl-p-chlorobenzenesulfonamide; Benzenesulfonamide; N-butyl-p-chloro-; BRN 2732475; AI3-01434; N-Butyl-4-chlo...
InChI Key
XFMKHPRAQATSFB-UHFFFAOYSA-N
InChI
InChI=1S/C10H14ClNO2S/c1-2-3-8-12-15(13,14)10-6-4-9(11)5-7-10/h4-7,12H,2-3,8H2,1H3
IUPAC Name
N-butyl-4-chlorobenzenesulfonamide
CAS Number
1394855-29-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
29 29 0 0 0 0 0 0 0 0999 V2000
4.4992 1.2692 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2389 0.4427 0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9170 -0.438...
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: 29700 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
15
Rotatable Bonds
5
logP
2.4184
Complexity
61.5485
TPSA (Ų)
46.17
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
1