2-chloro-N-[3-(dimethylsulfamoyl)-4-(trifluoromethoxy)phenyl]acetamide
Inhibitor information
- CovInDB Inhibitor
- CI006075
- Name
- 2-chloro-N-[3-(dimethylsulfamoyl)-4-(trifluoromethoxy)phenyl]acetamide
- Molecular Formula
- C11H12ClF3N2O4S
- Molecular Weight
- 360.0158402 g/mol
- Structure
-
- IUPAC Name
- 2-chloro-N-[3-(dimethylsulfamoyl)-4-(trifluoromethoxy)phenyl]acetamide
- InChI
- InChI=1S/C11H12ClF3N2O4S/c1-17(2)22(19,20)9-5-7(16-10(18)6-12)3-4-8(9)21-11(13,14)15/h3-5H,6H2,1-2H3,(H,16,18)
- InChI Key
- NUBGFDCZZATGBQ-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1OC(F)(F)F
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
360.0158402 g/mol
Computed by RDKit
- logP
-
2.402
Computed by ALOGPS
- logS
-
-5.112
Computed by ALOGPS
- Heavy Atom Count
-
22
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
5
Computed by RDKit
- Topological Polar Surface Area
-
75.71 Å2
Computed by RDKit
3D Structure
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
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