1-(2-bromo-4-methylsulfonylphenyl)piperazine

C11H15BrN2O2S — CID 2761063

IUPAC1-(2-bromo-4-methylsulfonylphenyl)piperazine
SMILESCS(=O)(=O)c1ccc(N2CCNCC2)c(Br)c1
InChIInChI=1S/C11H15BrN2O2S/c1-17(15,16)9-2-3-11(10(12)8-9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKeyZDVVWFZPPZXANM-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.26
Rot. Bonds2

About 1-(2-bromo-4-methylsulfonylphenyl)piperazine

1-(2-bromo-4-methylsulfonylphenyl)piperazine (PubChem CID 2761063) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 1-(2-bromo-4-methylsulfonylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-bromo-4-methylsulfonylphenyl)piperazine
PubChem CID2761063
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name1-(2-bromo-4-methylsulfonylphenyl)piperazine
SMILESCS(=O)(=O)c1ccc(N2CCNCC2)c(Br)c1
InChIInChI=1S/C11H15BrN2O2S/c1-17(15,16)9-2-3-11(10(12)8-9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKeyZDVVWFZPPZXANM-UHFFFAOYSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-bromo-4-methylsulfonylphenyl)piperazine 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 1-(2-bromo-4-methylsulfonylphenyl)piperazine?
The IUPAC name of 1-(2-bromo-4-methylsulfonylphenyl)piperazine (CID 2761063) is 1-(2-bromo-4-methylsulfonylphenyl)piperazine.
What is the SMILES notation for 1-(2-bromo-4-methylsulfonylphenyl)piperazine?
The canonical SMILES for 1-(2-bromo-4-methylsulfonylphenyl)piperazine is CS(=O)(=O)c1ccc(N2CCNCC2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylsulfonylphenyl)piperazine?
The InChIKey is ZDVVWFZPPZXANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-17(15,16)9-2-3-11(10(12)8-9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 1-(2-bromo-4-methylsulfonylphenyl)piperazine?
1-(2-bromo-4-methylsulfonylphenyl)piperazine has a molecular weight of 319.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylsulfonylphenyl)piperazine is sourced from PubChem (CID 2761063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).