[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone

C16H22FN3O3S — CID 134373645

IUPAC[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C16H22FN3O3S/c1-18-8-10-19(11-9-18)16(21)20-7-6-15(12-20)24(22,23)14-4-2-13(17)3-5-14/h2-5,15H,6-12H2,1H3
InChIKeyNUUTYKJQMJAIQL-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.04
Rot. Bonds2

About [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone

[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 134373645) has the molecular formula C16H22FN3O3S and a molecular weight of 355.44 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID134373645
Molecular FormulaC16H22FN3O3S
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC Name[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C16H22FN3O3S/c1-18-8-10-19(11-9-18)16(21)20-7-6-15(12-20)24(22,23)14-4-2-13(17)3-5-14/h2-5,15H,6-12H2,1H3
InChIKeyNUUTYKJQMJAIQL-UHFFFAOYSA-N
XLogP1.04
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone 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 [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 134373645) is [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)C2)CC1.
What is the InChIKey of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NUUTYKJQMJAIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3S/c1-18-8-10-19(11-9-18)16(21)20-7-6-15(12-20)24(22,23)14-4-2-13(17)3-5-14/h2-5,15H,6-12H2,1H3.
What are the key properties of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 134373645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).