[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone

C17H23FN2O5S2 — CID 90586366

IUPAC[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)C2CCCN2S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H23FN2O5S2/c1-26(22,23)13-8-11-19(12-9-13)17(21)15-6-4-10-20(15)27(24,25)16-7-3-2-5-14(16)18/h2-3,5,7,13,15H,4,6,8-12H2,1H3
InChIKeyUOSPXNPTTUVSKP-UHFFFAOYSA-N
MW418.51 g/mol
LogP1.01
Rot. Bonds4

About [1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone

[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone (PubChem CID 90586366) has the molecular formula C17H23FN2O5S2 and a molecular weight of 418.51 g/mol. Its IUPAC name is [1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone
PubChem CID90586366
Molecular FormulaC17H23FN2O5S2
Molecular Weight418.51 g/mol
Exact Mass418.10
IUPAC Name[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)C2CCCN2S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H23FN2O5S2/c1-26(22,23)13-8-11-19(12-9-13)17(21)15-6-4-10-20(15)27(24,25)16-7-3-2-5-14(16)18/h2-3,5,7,13,15H,4,6,8-12H2,1H3
InChIKeyUOSPXNPTTUVSKP-UHFFFAOYSA-N
XLogP1.01
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(benzenesulfonyl)pyrrolidin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42702670
(2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 2119678
1-(2-fluorophenyl)sulfonyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 24641779
1-(2-fluorophenyl)sulfonyl-3-methylpiperidine-2-carboxylic acid
CID 107070159
1-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79545883
1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine
CID 62122855
1-(2-fluorophenyl)sulfonyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 24644538
1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 24646697
(4-methylphenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 7569943
1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 24654663
[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110286067
N-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide
CID 51567796

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone?
The IUPAC name of [1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone (CID 90586366) is [1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone is CS(=O)(=O)C1CCN(C(=O)C2CCCN2S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of [1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone?
The InChIKey is UOSPXNPTTUVSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O5S2/c1-26(22,23)13-8-11-19(12-9-13)17(21)15-6-4-10-20(15)27(24,25)16-7-3-2-5-14(16)18/h2-3,5,7,13,15H,4,6,8-12H2,1H3.
What are the key properties of [1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone?
[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone has a molecular weight of 418.51 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone is sourced from PubChem (CID 90586366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).