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

CovInDB Inhibitor

CI006059

Name

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

Molecular Formula

C₁₁H₁₄Cl₂N₂O₄S

Molecular Weight

340.0051333 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C11H14Cl2N2O4S/c1-19-5-4-14-20(17,18)10-6-8(2-3-9(10)13)15-11(16)7-12/h2-3,6,14H,4-5,7H2,1H3,(H,15,16)

InChI Key

PBRBGXBCLGKNPA-UHFFFAOYSA-N

Canonical SMILES

COCCNS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

340.0051333 g/mol

Computed by RDKit

logP

1.456

Computed by ALOGPS

logS

-2.615

Computed by ALOGPS

Heavy Atom Count

20

Computed by RDKit

Ring Count

1

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

7

Computed by RDKit

Topological Polar Surface Area

84.5 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.