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

CovInDB Inhibitor

CI006054

Name

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

Molecular Formula

C₁₂H₁₆Cl₂N₂O₄S

Molecular Weight

354.0207834 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C12H16Cl2N2O4S/c1-16(5-6-20-2)21(18,19)11-7-9(3-4-10(11)14)15-12(17)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)

InChI Key

ADUIOJAMEFYIGZ-UHFFFAOYSA-N

Canonical SMILES

COCCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl

Cocrystal structures

6PNN

Molecular Weight

354.0207834 g/mol

Computed by RDKit

logP

1.63

Computed by ALOGPS

logS

-2.659

Computed by ALOGPS

Heavy Atom Count

21

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

7

Computed by RDKit

Topological Polar Surface Area

75.71 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.