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

CovInDB Inhibitor

CI006074

Name

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

Molecular Formula

C₁₀H₁₂ClIN₂O₃S

Molecular Weight

401.9301889 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C10H12ClIN2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)

InChI Key

UHTJVXMVCVDKDI-UHFFFAOYSA-N

Canonical SMILES

CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1I

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

401.9301889 g/mol

Computed by RDKit

logP

2.259

Computed by ALOGPS

logS

-3.465

Computed by ALOGPS

Heavy Atom Count

18

Computed by RDKit

Ring Count

1

Computed by RDKit

Hydrogen Bond Acceptor Count

3

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

4

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.