2-chloro-N-[4-chloro-3-(isopropylsulfamoyl)phenyl]acetamide
Inhibitor information
- CovInDB Inhibitor
- CI006058
- Name
- 2-chloro-N-[4-chloro-3-(isopropylsulfamoyl)phenyl]acetamide
- Molecular Formula
- C11H14Cl2N2O3S
- Molecular Weight
- 324.0102187 g/mol
- Structure
-
- IUPAC Name
- 2-chloro-N-[4-chloro-3-(isopropylsulfamoyl)phenyl]acetamide
- InChI
- InChI=1S/C11H14Cl2N2O3S/c1-7(2)15-19(17,18)10-5-8(3-4-9(10)13)14-11(16)6-12/h3-5,7,15H,6H2,1-2H3,(H,14,16)
- InChI Key
- KNMHYCCVNWINHU-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)NS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
- Cocrystal structures
- 6PNO
Calculated Properties
- Molecular Weight
-
324.0102187 g/mol
Computed by RDKit
- logP
-
2.342
Computed by ALOGPS
- logS
-
-3.063
Computed by ALOGPS
- Heavy Atom Count
-
19
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
5
Computed by RDKit
- Topological Polar Surface Area
-
75.27 Å2
Computed by RDKit
3D Structure
targets
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selectivity
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.