1-(4-methoxyphenyl)sulfonylpiperazine

C11H16N2O3S — CID 797560

IUPAC1-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C11H16N2O3S/c1-16-10-2-4-11(5-3-10)17(14,15)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKeyRYCVCXVHXZLECQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.29
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonylpiperazine

1-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 797560) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID797560
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C11H16N2O3S/c1-16-10-2-4-11(5-3-10)17(14,15)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKeyRYCVCXVHXZLECQ-UHFFFAOYSA-N
XLogP0.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonylpiperazine (CID 797560) is 1-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is RYCVCXVHXZLECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-16-10-2-4-11(5-3-10)17(14,15)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonylpiperazine?
1-(4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 256.33 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 797560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).