N-[4-chloro-3-(dimethylsulfamoyl)phenyl]prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI005194
- Name
- N-[4-chloro-3-(dimethylsulfamoyl)phenyl]prop-2-enamide
- Molecular Formula
- C11H13ClN2O3S
- Molecular Weight
- 288.033541 g/mol
- Structure
-
- IUPAC Name
- N-[4-chloro-3-(dimethylsulfamoyl)phenyl]prop-2-enamide
- InChI
- InChI=1S/C11H13ClN2O3S/c1-4-11(15)13-8-5-6-9(12)10(7-8)18(16,17)14(2)3/h4-7H,1H2,2-3H3,(H,13,15)
- InChI Key
- LVXJKSBCPCDTED-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
288.033541 g/mol
Computed by RDKit
- logP
-
1.792
Computed by ALOGPS
- logS
-
-3.007
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
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bioactivity
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.