2-chloro-N-[4-chloro-3-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]acetamide
Inhibitor information
- CovInDB Inhibitor
- CI006062
- Name
- 2-chloro-N-[4-chloro-3-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]acetamide
- Molecular Formula
- C13H16Cl2N2O4S
- Molecular Weight
- 366.0207834 g/mol
- Structure
-
- IUPAC Name
- 2-chloro-N-[4-chloro-3-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]acetamide
- InChI
- InChI=1S/C13H16Cl2N2O4S/c14-7-13(18)17-9-3-4-11(15)12(6-9)22(19,20)16-8-10-2-1-5-21-10/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18)
- InChI Key
- GQWNROKBHHAYLW-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCl)Nc1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
366.0207834 g/mol
Computed by RDKit
- logP
-
1.96
Computed by ALOGPS
- logS
-
-3.181
Computed by ALOGPS
- Heavy Atom Count
-
22
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
6
Computed by RDKit
- Topological Polar Surface Area
-
84.5 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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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.