Molecular Details
DICL_CP_0319391
- N-(2-methoxyphenyl)benzenesulfonamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0319391
PubChem CID
Molecular Formula
C13H13NO3S Molecular Weight
263.318 g/mol
Synonyms/Alias
[N-(2-Methoxyphenyl)benzenesulfonamide; 21226-32-4; Benzenesulfon-o-anisidide; NSC49557; starbld0001269; ghl.PD_Mitscher_leg0.7; IFLab1_004439; SCHEMBL3380247; DTXSID50287182; QQZJHODRVHVSLV-UHFFFAOYS...
InChI Key
QQZJHODRVHVSLV-UHFFFAOYSA-N
InChI
InChI=1S/C13H13NO3S/c1-17-13-10-6-5-9-12(13)14-18(15,16)11-7-3-2-4-8-11/h2-10,14H,1H3
IUPAC Name
N-(2-methoxyphenyl)benzenesulfonamide
CAS Number
1169483-24-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
18 19 0 0 0 0 0 0 0 0999 V2000
-0.4214 -2.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5465 -1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9035 -0...
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 12
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 13 (outward) 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
−40 mV mV
Temperature
22–24 °C
Test Method
Patch-clamping
Test Species
AtT-20 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
4
logP
2.496
Complexity
70.2445
TPSA (Ų)
55.4
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
2