[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C15H20FNO4S — CID 168674785

IUPAC[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCC(C)Oc1ccc(N2CC(CS(=O)(=O)F)CC2=O)cc1
InChIInChI=1S/C15H20FNO4S/c1-3-11(2)21-14-6-4-13(5-7-14)17-9-12(8-15(17)18)10-22(16,19)20/h4-7,11-12H,3,8-10H2,1-2H3
InChIKeyMXFHEJLMQMPMAV-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.52
Rot. Bonds6

About [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674785) has the molecular formula C15H20FNO4S and a molecular weight of 329.39 g/mol. Its IUPAC name is [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674785
Molecular FormulaC15H20FNO4S
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCC(C)Oc1ccc(N2CC(CS(=O)(=O)F)CC2=O)cc1
InChIInChI=1S/C15H20FNO4S/c1-3-11(2)21-14-6-4-13(5-7-14)17-9-12(8-15(17)18)10-22(16,19)20/h4-7,11-12H,3,8-10H2,1-2H3
InChIKeyMXFHEJLMQMPMAV-UHFFFAOYSA-N
XLogP2.52
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680272
[1-(4-acetylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675238
[1-[3-(difluoromethoxy)-4-methylphenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676012
methyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate
CID 168675500
[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677009
[1-(2,5-diethoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675378
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677760
[1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675834
[5-oxo-1-(1H-pyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677464
[1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676978
[5-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677693
[1-(2-fluoro-4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675660

Frequently Asked Questions

What is the IUPAC name of [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674785) is [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CCC(C)Oc1ccc(N2CC(CS(=O)(=O)F)CC2=O)cc1.
What is the InChIKey of [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is MXFHEJLMQMPMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4S/c1-3-11(2)21-14-6-4-13(5-7-14)17-9-12(8-15(17)18)10-22(16,19)20/h4-7,11-12H,3,8-10H2,1-2H3.
What are the key properties of [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 329.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).