2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone

C17H23ClN2O4S — CID 2988234

IUPAC2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)N1CCCC1
InChIInChI=1S/C17H23ClN2O4S/c18-15-12-14(25(22,23)20-10-2-1-3-11-20)6-7-16(15)24-13-17(21)19-8-4-5-9-19/h6-7,12H,1-5,8-11,13H2
InChIKeyPDCFNZWAOQODBV-UHFFFAOYSA-N
MW386.90 g/mol
LogP2.52
Rot. Bonds5

About 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone

2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone (PubChem CID 2988234) has the molecular formula C17H23ClN2O4S and a molecular weight of 386.90 g/mol. Its IUPAC name is 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
PubChem CID2988234
Molecular FormulaC17H23ClN2O4S
Molecular Weight386.90 g/mol
Exact Mass386.11
IUPAC Name2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)N1CCCC1
InChIInChI=1S/C17H23ClN2O4S/c18-15-12-14(25(22,23)20-10-2-1-3-11-20)6-7-16(15)24-13-17(21)19-8-4-5-9-19/h6-7,12H,1-5,8-11,13H2
InChIKeyPDCFNZWAOQODBV-UHFFFAOYSA-N
XLogP2.52
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone (CID 2988234) is 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone is O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)N1CCCC1.
What is the InChIKey of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone?
The InChIKey is PDCFNZWAOQODBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4S/c18-15-12-14(25(22,23)20-10-2-1-3-11-20)6-7-16(15)24-13-17(21)19-8-4-5-9-19/h6-7,12H,1-5,8-11,13H2.
What are the key properties of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone?
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone has a molecular weight of 386.90 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 2988234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).