2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
Inhibitor information
- CovInDB Inhibitor
- CI005220
- Name
- 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
- Molecular Formula
- C10H12Cl2N2O3S
- Molecular Weight
- 309.9945686 g/mol
- Structure
-
- IUPAC Name
- 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
- InChI
- InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)
- InChI Key
- YEHYODCKTNLFQU-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
- Cocrystal structures
- 4YQM
Calculated Properties
- Molecular Weight
-
309.9945686 g/mol
Computed by RDKit
- logP
-
1.79
Computed by ALOGPS
- logS
-
-2.925
Computed by ALOGPS
- Heavy Atom Count
-
18
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
4
Computed by RDKit
- Topological Polar Surface Area
-
66.48 Å2
Computed by RDKit
3D Structure
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
|---|
selectivity
| Target | Activity Type | Relation | Value | Unit | Assay | Reference |
|---|
bioactivity
| Object | Object Type | Activity Type | Relation | Value | Unit | Assay | Reference |
|---|
ADMET
| Activity Type | Relation | Value | Unit | Assay | Reference |
|---|