2-chloro-N-[4-chloro-3-[3-methoxypropyl(methyl)sulfamoyl]phenyl]acetamide

Inhibitor information

CovInDB Inhibitor
CI006055
Name
2-chloro-N-[4-chloro-3-[3-methoxypropyl(methyl)sulfamoyl]phenyl]acetamide
Molecular Formula
C13H18Cl2N2O4S
Molecular Weight
368.0364334 g/mol
Structure
2D structure
  Warhead   Similar Compounds
IUPAC Name
2-chloro-N-[4-chloro-3-[3-methoxypropyl(methyl)sulfamoyl]phenyl]acetamide
InChI
InChI=1S/C13H18Cl2N2O4S/c1-17(6-3-7-21-2)22(19,20)12-8-10(4-5-11(12)15)16-13(18)9-14/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)
InChI Key
YGEIEJHWKWARAH-UHFFFAOYSA-N
Canonical SMILES
COCCCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
Cocrystal structures
No cocrystal structures found for this inhibitor.


Calculated Properties

Molecular Weight

368.0364334 g/mol

Computed by RDKit

logP

1.842

Computed by ALOGPS

logS

-2.877

Computed by ALOGPS

Heavy Atom Count

22

Computed by RDKit

Ring Count

1

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

8

Computed by RDKit

Topological Polar Surface Area

75.71 Å2

Computed by RDKit



3D Structure



targets

Name ID Warhead Reaction Mechanism Target Site Activity Type Relation Value Unit Experiment Method Assay Reference

selectivity

Target Activity Type Relation Value Unit Assay Reference


Similar compounds in Virtual Screening library

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ZC336800

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ZC2235291

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ZC322126

Similarity Score: 0.52



Similar Natural compounds

No similar natural compounds found for this inhibitor.