[5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride

C16H15FN2O3S — CID 168677109

IUPAC[5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C16H15FN2O3S/c17-23(21,22)11-12-8-16(20)19(10-12)14-6-7-15(18-9-14)13-4-2-1-3-5-13/h1-7,9,12H,8,10-11H2
InChIKeyFULCIIRCCWQYIT-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.40
Rot. Bonds4

About [5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168677109) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is [5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168677109
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name[5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C16H15FN2O3S/c17-23(21,22)11-12-8-16(20)19(10-12)14-6-7-15(18-9-14)13-4-2-1-3-5-13/h1-7,9,12H,8,10-11H2
InChIKeyFULCIIRCCWQYIT-UHFFFAOYSA-N
XLogP2.40
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
CID 168508921
4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
CID 168663596
5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride
CID 168712493
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677760
(5-oxo-1-quinolin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677584
[1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676288
[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677009
[5-oxo-1-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677915
[5-oxo-1-(1H-pyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677464
[1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682606
[5-oxo-1-(3-phenylmethoxyphenyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677695
[1-(3H-benzimidazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677060

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168677109) is [5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1c1ccc(-c2ccccc2)nc1.
What is the InChIKey of [5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is FULCIIRCCWQYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c17-23(21,22)11-12-8-16(20)19(10-12)14-6-7-15(18-9-14)13-4-2-1-3-5-13/h1-7,9,12H,8,10-11H2.
What are the key properties of [5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 334.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168677109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).