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

C16H21FN2O4S — CID 134374402

IUPAC[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(N1CCC(O)CC1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O4S/c17-12-1-3-14(4-2-12)24(22,23)15-7-10-19(11-15)16(21)18-8-5-13(20)6-9-18/h1-4,13,15,20H,5-11H2
InChIKeyJVGCQHVRAJGWKE-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.25
Rot. Bonds2

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

[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 134374402) has the molecular formula C16H21FN2O4S and a molecular weight of 356.42 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID134374402
Molecular FormulaC16H21FN2O4S
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(N1CCC(O)CC1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O4S/c17-12-1-3-14(4-2-12)24(22,23)15-7-10-19(11-15)16(21)18-8-5-13(20)6-9-18/h1-4,13,15,20H,5-11H2
InChIKeyJVGCQHVRAJGWKE-UHFFFAOYSA-N
XLogP1.25
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 164639278
[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 134373645
[3-(4-Fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 134373652
1-[4-[3-(4-Fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperazin-1-yl]ethanone
CID 134373744
[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 134373745
[(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 134373768
1-[(2S)-4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 134373851
[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 134373948
[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone
CID 134373985
4-[3-(4-Fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperazine-1-carbaldehyde
CID 134374085
[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 134374379
[3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-[(3S)-3-(hydroxymethyl)piperazin-1-yl]methanone
CID 134374389

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 134374402) is [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone is O=C(N1CCC(O)CC1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is JVGCQHVRAJGWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4S/c17-12-1-3-14(4-2-12)24(22,23)15-7-10-19(11-15)16(21)18-8-5-13(20)6-9-18/h1-4,13,15,20H,5-11H2.
What are the key properties of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 356.42 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 134374402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).