2-chloro-N-[4-chloro-3-(tetrahydrofuran-3-ylsulfamoyl)phenyl]acetamide

Inhibitor information

CovInDB Inhibitor
CI006061
Name
2-chloro-N-[4-chloro-3-(tetrahydrofuran-3-ylsulfamoyl)phenyl]acetamide
Molecular Formula
C12H14Cl2N2O4S
Molecular Weight
352.0051333 g/mol
Structure
2D structure
  Warhead   Similar Compounds
IUPAC Name
2-chloro-N-[4-chloro-3-(tetrahydrofuran-3-ylsulfamoyl)phenyl]acetamide
InChI
InChI=1S/C12H14Cl2N2O4S/c13-6-12(17)15-8-1-2-10(14)11(5-8)21(18,19)16-9-3-4-20-7-9/h1-2,5,9,16H,3-4,6-7H2,(H,15,17)
InChI Key
XWWAMKUOFLPIIN-UHFFFAOYSA-N
Canonical SMILES
O=C(CCl)Nc1ccc(Cl)c(S(=O)(=O)NC2CCOC2)c1
Cocrystal structures
No cocrystal structures found for this inhibitor.


Calculated Properties

Molecular Weight

352.0051333 g/mol

Computed by RDKit

logP

1.242

Computed by ALOGPS

logS

-2.712

Computed by ALOGPS

Heavy Atom Count

21

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

5

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


Similar compounds in Virtual Screening library

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ZC535047

Similarity Score: 0.58

ZC336800

Similarity Score: 0.52

ZC1365415

Similarity Score: 0.52



Similar Natural compounds

No similar natural compounds found for this inhibitor.