Molecular Details
DICL_CP_0311429
- 5-chlorothiophene-2-sulfonamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311429
PubChem CID
Molecular Formula
C4H4ClNO2S2 Molecular Weight
197.668 g/mol
Synonyms/Alias
[5-Chlorothiophene-2-sulfonamide; 53595-66-7; 5-Chloro-2-thiophenesulfonamide; 2-Thiophenesulfonamide; 5-chloro-; 2-Chloro thiophene-5-sulfonamide; MFCD00052584; XTH0OV5X5X; 5-chloranylthiophene-2-sul...
InChI Key
RKLQLYBJAZBSEU-UHFFFAOYSA-N
InChI
InChI=1S/C4H4ClNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)
IUPAC Name
5-chlorothiophene-2-sulfonamide
CAS Number
254877-67-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
14 14 0 0 0 0 0 0 0 0999 V2000
0.6121 0.9530 -0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0279 -0.3044 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1730 -1.428...
Experimental Data
Activity Data
Target Ion Channel
Aquaporin-4
Uniprot Accession Number
Function
Inactive
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
No effect
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
18 °C
Test Method
Binding assay
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
10
Rotatable Bonds
1
logP
1.0489
Complexity
40.7022
TPSA (Ų)
60.16
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
1