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

C11H15ClN2O2S — CID 2761066

IUPAC1-(4-chloro-2-methylsulfonylphenyl)piperazine
SMILESCS(=O)(=O)c1cc(Cl)ccc1N1CCNCC1
InChIInChI=1S/C11H15ClN2O2S/c1-17(15,16)11-8-9(12)2-3-10(11)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKeyRJEDJYJNERXVNE-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.15
Rot. Bonds2

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

1-(4-chloro-2-methylsulfonylphenyl)piperazine (PubChem CID 2761066) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 1-(4-chloro-2-methylsulfonylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-chloro-2-methylsulfonylphenyl)piperazine
PubChem CID2761066
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name1-(4-chloro-2-methylsulfonylphenyl)piperazine
SMILESCS(=O)(=O)c1cc(Cl)ccc1N1CCNCC1
InChIInChI=1S/C11H15ClN2O2S/c1-17(15,16)11-8-9(12)2-3-10(11)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKeyRJEDJYJNERXVNE-UHFFFAOYSA-N
XLogP1.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylsulfonylphenyl)piperazine?
The IUPAC name of 1-(4-chloro-2-methylsulfonylphenyl)piperazine (CID 2761066) is 1-(4-chloro-2-methylsulfonylphenyl)piperazine.
What is the SMILES notation for 1-(4-chloro-2-methylsulfonylphenyl)piperazine?
The canonical SMILES for 1-(4-chloro-2-methylsulfonylphenyl)piperazine is CS(=O)(=O)c1cc(Cl)ccc1N1CCNCC1.
What is the InChIKey of 1-(4-chloro-2-methylsulfonylphenyl)piperazine?
The InChIKey is RJEDJYJNERXVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-17(15,16)11-8-9(12)2-3-10(11)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 1-(4-chloro-2-methylsulfonylphenyl)piperazine?
1-(4-chloro-2-methylsulfonylphenyl)piperazine has a molecular weight of 274.77 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylsulfonylphenyl)piperazine is sourced from PubChem (CID 2761066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).