[1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C9H8Cl2FN3O3S — CID 168677555

IUPAC[1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1cc(Cl)nnc1Cl
InChIInChI=1S/C9H8Cl2FN3O3S/c10-7-2-6(9(11)14-13-7)15-3-5(1-8(15)16)4-19(12,17)18/h2,5H,1,3-4H2
InChIKeyUDTXSIANTURBHS-UHFFFAOYSA-N
MW328.15 g/mol
LogP1.44
Rot. Bonds3

About [1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168677555) has the molecular formula C9H8Cl2FN3O3S and a molecular weight of 328.15 g/mol. Its IUPAC name is [1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168677555
Molecular FormulaC9H8Cl2FN3O3S
Molecular Weight328.15 g/mol
Exact Mass326.96
IUPAC Name[1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1cc(Cl)nnc1Cl
InChIInChI=1S/C9H8Cl2FN3O3S/c10-7-2-6(9(11)14-13-7)15-3-5(1-8(15)16)4-19(12,17)18/h2,5H,1,3-4H2
InChIKeyUDTXSIANTURBHS-UHFFFAOYSA-N
XLogP1.44
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-Chloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677554
(5-Oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677760
1-(6-Chloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715958
1-(3,6-Dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715959
1-(3,6-Dichloropyridazin-4-yl)-4-ethynylpyrrolidin-2-one
CID 168502725
4-(Bromomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
CID 168506045
4-(Chloromethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
CID 168509366
4-(Azidomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
CID 168658292
4-(Aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
CID 168661150
S-[[1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668718
1-(6-Chloropyridazin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672046
1-(3,6-Dichloropyridazin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672047

Frequently Asked Questions

What is the IUPAC name of [1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168677555) is [1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1c1cc(Cl)nnc1Cl.
What is the InChIKey of [1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is UDTXSIANTURBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2FN3O3S/c10-7-2-6(9(11)14-13-7)15-3-5(1-8(15)16)4-19(12,17)18/h2,5H,1,3-4H2.
What are the key properties of [1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 328.15 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168677555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).