[1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H11ClFN3O4S — CID 168675748

IUPAC[1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1cc(Cl)nc(N2CC(CS(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H11ClFN3O4S/c1-19-8-3-7(11)13-10(14-8)15-4-6(2-9(15)16)5-20(12,17)18/h3,6H,2,4-5H2,1H3
InChIKeyVKHPKMVIFVPPJY-UHFFFAOYSA-N
MW323.73 g/mol
LogP0.79
Rot. Bonds4

About [1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675748) has the molecular formula C10H11ClFN3O4S and a molecular weight of 323.73 g/mol. Its IUPAC name is [1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675748
Molecular FormulaC10H11ClFN3O4S
Molecular Weight323.73 g/mol
Exact Mass323.01
IUPAC Name[1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1cc(Cl)nc(N2CC(CS(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H11ClFN3O4S/c1-19-8-3-7(11)13-10(14-8)15-4-6(2-9(15)16)5-20(12,17)18/h3,6H,2,4-5H2,1H3
InChIKeyVKHPKMVIFVPPJY-UHFFFAOYSA-N
XLogP0.79
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675748) is [1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is COc1cc(Cl)nc(N2CC(CS(=O)(=O)F)CC2=O)n1.
What is the InChIKey of [1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is VKHPKMVIFVPPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3O4S/c1-19-8-3-7(11)13-10(14-8)15-4-6(2-9(15)16)5-20(12,17)18/h3,6H,2,4-5H2,1H3.
What are the key properties of [1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 323.73 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).