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

C9H9ClFN3O3S — CID 168677554

IUPAC[1-(6-chloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1cnnc(Cl)c1
InChIInChI=1S/C9H9ClFN3O3S/c10-8-2-7(3-12-13-8)14-4-6(1-9(14)15)5-18(11,16)17/h2-3,6H,1,4-5H2
InChIKeyBWXGDFJKRUJXDK-UHFFFAOYSA-N
MW293.71 g/mol
LogP0.78
Rot. Bonds3

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

[1-(6-chloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168677554) has the molecular formula C9H9ClFN3O3S and a molecular weight of 293.71 g/mol. Its IUPAC name is [1-(6-chloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(6-chloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168677554
Molecular FormulaC9H9ClFN3O3S
Molecular Weight293.71 g/mol
Exact Mass293.00
IUPAC Name[1-(6-chloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1cnnc(Cl)c1
InChIInChI=1S/C9H9ClFN3O3S/c10-8-2-7(3-12-13-8)14-4-6(1-9(14)15)5-18(11,16)17/h2-3,6H,1,4-5H2
InChIKeyBWXGDFJKRUJXDK-UHFFFAOYSA-N
XLogP0.78
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(6-chloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(6-chloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168677554) is [1-(6-chloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(6-chloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(6-chloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1c1cnnc(Cl)c1.
What is the InChIKey of [1-(6-chloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is BWXGDFJKRUJXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN3O3S/c10-8-2-7(3-12-13-8)14-4-6(1-9(14)15)5-18(11,16)17/h2-3,6H,1,4-5H2.
What are the key properties of [1-(6-chloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(6-chloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 293.71 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloropyridazin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168677554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).