1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

C18H23FN2O4S — CID 134373674

IUPAC1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C18H23FN2O4S/c1-13(22)20-9-6-14(7-10-20)18(23)21-11-8-17(12-21)26(24,25)16-4-2-15(19)3-5-16/h2-5,14,17H,6-12H2,1H3
InChIKeyPMYPTCAYTNPRDH-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.46
Rot. Bonds3

About 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 134373674) has the molecular formula C18H23FN2O4S and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID134373674
Molecular FormulaC18H23FN2O4S
Molecular Weight382.46 g/mol
Exact Mass382.14
IUPAC Name1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C18H23FN2O4S/c1-13(22)20-9-6-14(7-10-20)18(23)21-11-8-17(12-21)26(24,25)16-4-2-15(19)3-5-16/h2-5,14,17H,6-12H2,1H3
InChIKeyPMYPTCAYTNPRDH-UHFFFAOYSA-N
XLogP1.46
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (CID 134373674) is 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is PMYPTCAYTNPRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4S/c1-13(22)20-9-6-14(7-10-20)18(23)21-11-8-17(12-21)26(24,25)16-4-2-15(19)3-5-16/h2-5,14,17H,6-12H2,1H3.
What are the key properties of 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 382.46 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 134373674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).