(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride

C9H10FN3O3S — CID 168677760

IUPAC(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1ccnnc1
InChIInChI=1S/C9H10FN3O3S/c10-17(15,16)6-7-3-9(14)13(5-7)8-1-2-11-12-4-8/h1-2,4,7H,3,5-6H2
InChIKeyGBLPKRBKSJKIJR-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.13
Rot. Bonds3

About (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride

(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride (PubChem CID 168677760) has the molecular formula C9H10FN3O3S and a molecular weight of 259.26 g/mol. Its IUPAC name is (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
PubChem CID168677760
Molecular FormulaC9H10FN3O3S
Molecular Weight259.26 g/mol
Exact Mass259.04
IUPAC Name(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1ccnnc1
InChIInChI=1S/C9H10FN3O3S/c10-17(15,16)6-7-3-9(14)13(5-7)8-1-2-11-12-4-8/h1-2,4,7H,3,5-6H2
InChIKeyGBLPKRBKSJKIJR-UHFFFAOYSA-N
XLogP0.13
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
1-pyridazin-4-yl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672252
[5-oxo-1-(1H-pyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677464
[5-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677509
[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677009
(1-isoquinolin-6-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677612
[5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677109
[1-(3-bromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677375
(5-oxo-1-quinolin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677584
[1-(4-acetylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675238
[1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675834

Frequently Asked Questions

What is the IUPAC name of (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride?
The IUPAC name of (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride (CID 168677760) is (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1c1ccnnc1.
What is the InChIKey of (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride?
The InChIKey is GBLPKRBKSJKIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O3S/c10-17(15,16)6-7-3-9(14)13(5-7)8-1-2-11-12-4-8/h1-2,4,7H,3,5-6H2.
What are the key properties of (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride?
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride has a molecular weight of 259.26 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 168677760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).