2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile

C10H9Br2NO2S — CID 55026513

IUPAC2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile
SMILESCC(C)(C#N)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H9Br2NO2S/c1-10(2,6-13)16(14,15)9-5-7(11)3-4-8(9)12/h3-5H,1-2H3
InChIKeyWEDMOQDHLZFWGM-UHFFFAOYSA-N
MW367.06 g/mol
LogP3.29
Rot. Bonds2

About 2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile

2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile (PubChem CID 55026513) has the molecular formula C10H9Br2NO2S and a molecular weight of 367.06 g/mol. Its IUPAC name is 2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile
PubChem CID55026513
Molecular FormulaC10H9Br2NO2S
Molecular Weight367.06 g/mol
Exact Mass364.87
IUPAC Name2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile
SMILESCC(C)(C#N)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H9Br2NO2S/c1-10(2,6-13)16(14,15)9-5-7(11)3-4-8(9)12/h3-5H,1-2H3
InChIKeyWEDMOQDHLZFWGM-UHFFFAOYSA-N
XLogP3.29
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.06
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile?
The IUPAC name of 2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile (CID 55026513) is 2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile.
What is the SMILES notation for 2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile?
The canonical SMILES for 2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile is CC(C)(C#N)S(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile?
The InChIKey is WEDMOQDHLZFWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO2S/c1-10(2,6-13)16(14,15)9-5-7(11)3-4-8(9)12/h3-5H,1-2H3.
What are the key properties of 2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile?
2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile has a molecular weight of 367.06 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromophenyl)sulfonyl-2-methylpropanenitrile is sourced from PubChem (CID 55026513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).