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

CovInDB Inhibitor

CI006076

Name

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

Molecular Formula

C₁₆H₁₇ClN₂O₃S

Molecular Weight

352.0648411 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C16H17ClN2O3S/c1-19(2)23(21,22)15-10-13(18-16(20)11-17)8-9-14(15)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,20)

InChI Key

PVKKNPBCIKTBNJ-UHFFFAOYSA-N

Canonical SMILES

CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1-c1ccccc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

352.0648411 g/mol

Computed by RDKit

logP

2.746

Computed by ALOGPS

logS

-4.242

Computed by ALOGPS

Heavy Atom Count

23

Computed by RDKit

Ring Count

2

Computed by RDKit

Hydrogen Bond Acceptor Count

3

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

5

Computed by RDKit

Topological Polar Surface Area

66.48 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.