2-chloro-N,N-dimethyl-5-(oxiran-2-ylmethyl)benzenesulfonamide
Inhibitor information
- CovInDB Inhibitor
- CI006071
- Name
- 2-chloro-N,N-dimethyl-5-(oxiran-2-ylmethyl)benzenesulfonamide
- Molecular Formula
- C11H14ClNO3S
- Molecular Weight
- 275.038292 g/mol
- Structure
-
- IUPAC Name
- 2-chloro-N,N-dimethyl-5-(oxiran-2-ylmethyl)benzenesulfonamide
- InChI
- InChI=1S/C11H14ClNO3S/c1-13(2)17(14,15)11-6-8(3-4-10(11)12)5-9-7-16-9/h3-4,6,9H,5,7H2,1-2H3
- InChI Key
- ULUOHQRKAYGQMH-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)S(=O)(=O)c1cc(CC2CO2)ccc1Cl
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
275.038292 g/mol
Computed by RDKit
- logP
-
1.763
Computed by ALOGPS
- logS
-
-2.868
Computed by ALOGPS
- Heavy Atom Count
-
17
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
4
Computed by RDKit
- Topological Polar Surface Area
-
49.91 Å2
Computed by RDKit
3D Structure
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
|---|
Similar compounds in Virtual Screening library
No similar compounds in the virtual screening library found for this inhibitor.
Similar Natural compounds
No similar natural compounds found for this inhibitor.