1-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine

C22H28ClN3O3S — CID 24790787

IUPAC1-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)CC1
InChIInChI=1S/C22H28ClN3O3S/c1-29-22-10-3-2-9-21(22)25-14-12-24(13-15-25)19-7-5-11-26(17-19)30(27,28)20-8-4-6-18(23)16-20/h2-4,6,8-10,16,19H,5,7,11-15,17H2,1H3
InChIKeyXONZRZQCUYMTGJ-UHFFFAOYSA-N
MW450.00 g/mol
LogP3.32
Rot. Bonds5

About 1-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine

1-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine (PubChem CID 24790787) has the molecular formula C22H28ClN3O3S and a molecular weight of 450.00 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
PubChem CID24790787
Molecular FormulaC22H28ClN3O3S
Molecular Weight450.00 g/mol
Exact Mass449.15
IUPAC Name1-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)CC1
InChIInChI=1S/C22H28ClN3O3S/c1-29-22-10-3-2-9-21(22)25-14-12-24(13-15-25)19-7-5-11-26(17-19)30(27,28)20-8-4-6-18(23)16-20/h2-4,6,8-10,16,19H,5,7,11-15,17H2,1H3
InChIKeyXONZRZQCUYMTGJ-UHFFFAOYSA-N
XLogP3.32
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.00
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine (CID 24790787) is 1-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(C2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)CC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is XONZRZQCUYMTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3S/c1-29-22-10-3-2-9-21(22)25-14-12-24(13-15-25)19-7-5-11-26(17-19)30(27,28)20-8-4-6-18(23)16-20/h2-4,6,8-10,16,19H,5,7,11-15,17H2,1H3.
What are the key properties of 1-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
1-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 450.00 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 24790787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).