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

CovInDB Inhibitor

CI006073

Name

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

Molecular Formula

C₁₀H₁₂BrClN₂O₃S

Molecular Weight

353.944053 g/mol

Structure

  Warhead   Similar Compounds

  Download

SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C10H12BrClN2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)11)13-10(15)6-12/h3-5H,6H2,1-2H3,(H,13,15)

InChI Key

FIGSTBOGEVCKDC-UHFFFAOYSA-N

Canonical SMILES

CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Br

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

353.944053 g/mol

Computed by RDKit

logP

1.915

Computed by ALOGPS

logS

-3.256

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

  Download

No similar natural compounds found for this inhibitor.