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

CovInDB Inhibitor

CI006060

Name

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

Molecular Formula

C₁₂H₁₆Cl₂N₂O₄S

Molecular Weight

354.0207834 g/mol

Structure

  Warhead   Similar Compounds

  Download

SDF 2D SDF 3D

IUPAC Name

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

InChI

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

InChI Key

KPHIHCHMDQULOR-UHFFFAOYSA-N

Canonical SMILES

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

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

354.0207834 g/mol

Computed by RDKit

logP

1.655

Computed by ALOGPS

logS

-2.802

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

2

Computed by RDKit

Rotatable Bond Count

8

Computed by RDKit

Topological Polar Surface Area

84.5 Ų

Computed by RDKit

  Download

No similar natural compounds found for this inhibitor.