1-pyridin-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine

C18H23N3O2S — CID 672997

IUPAC1-pyridin-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(C)c1
InChIInChI=1S/C18H23N3O2S/c1-14-12-15(2)18(16(3)13-14)24(22,23)21-10-8-20(9-11-21)17-6-4-5-7-19-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyXKYWSNCIDSFVGG-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.52
Rot. Bonds3

About 1-pyridin-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine

1-pyridin-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine (PubChem CID 672997) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
PubChem CID672997
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-pyridin-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(C)c1
InChIInChI=1S/C18H23N3O2S/c1-14-12-15(2)18(16(3)13-14)24(22,23)21-10-8-20(9-11-21)17-6-4-5-7-19-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyXKYWSNCIDSFVGG-UHFFFAOYSA-N
XLogP2.52
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-pyridin-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine (CID 672997) is 1-pyridin-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-pyridin-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine is Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(C)c1.
What is the InChIKey of 1-pyridin-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The InChIKey is XKYWSNCIDSFVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-12-15(2)18(16(3)13-14)24(22,23)21-10-8-20(9-11-21)17-6-4-5-7-19-17/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-pyridin-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
1-pyridin-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine has a molecular weight of 345.47 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 672997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).