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

C17H22FN3O4S — CID 134373744

IUPAC1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H22FN3O4S/c1-13(22)19-8-10-20(11-9-19)17(23)21-7-6-16(12-21)26(24,25)15-4-2-14(18)3-5-15/h2-5,16H,6-12H2,1H3
InChIKeyGGCTUGXPDIQBRQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP0.96
Rot. Bonds2

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

1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperazin-1-yl]ethanone (PubChem CID 134373744) has the molecular formula C17H22FN3O4S and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperazin-1-yl]ethanone
PubChem CID134373744
Molecular FormulaC17H22FN3O4S
Molecular Weight383.45 g/mol
Exact Mass383.13
IUPAC Name1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H22FN3O4S/c1-13(22)19-8-10-20(11-9-19)17(23)21-7-6-16(12-21)26(24,25)15-4-2-14(18)3-5-15/h2-5,16H,6-12H2,1H3
InChIKeyGGCTUGXPDIQBRQ-UHFFFAOYSA-N
XLogP0.96
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperazin-1-yl]ethanone (CID 134373744) is 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is GGCTUGXPDIQBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O4S/c1-13(22)19-8-10-20(11-9-19)17(23)21-7-6-16(12-21)26(24,25)15-4-2-14(18)3-5-15/h2-5,16H,6-12H2,1H3.
What are the key properties of 1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperazin-1-yl]ethanone?
1-[4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 383.45 g/mol, XLogP of 0.96, 2 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]piperazin-1-yl]ethanone is sourced from PubChem (CID 134373744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).