5-oxo-1-pyridazin-4-ylpyrrolidine-3-sulfonyl fluoride

C8H8FN3O3S — CID 168716164

IUPAC5-oxo-1-pyridazin-4-ylpyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccnnc1
InChIInChI=1S/C8H8FN3O3S/c9-16(14,15)7-3-8(13)12(5-7)6-1-2-10-11-4-6/h1-2,4,7H,3,5H2
InChIKeyIKAWNVFENVJMPJ-UHFFFAOYSA-N
MW245.23 g/mol
LogP-0.12
Rot. Bonds2

About 5-oxo-1-pyridazin-4-ylpyrrolidine-3-sulfonyl fluoride

5-oxo-1-pyridazin-4-ylpyrrolidine-3-sulfonyl fluoride (PubChem CID 168716164) has the molecular formula C8H8FN3O3S and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-oxo-1-pyridazin-4-ylpyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-pyridazin-4-ylpyrrolidine-3-sulfonyl fluoride
PubChem CID168716164
Molecular FormulaC8H8FN3O3S
Molecular Weight245.23 g/mol
Exact Mass245.03
IUPAC Name5-oxo-1-pyridazin-4-ylpyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccnnc1
InChIInChI=1S/C8H8FN3O3S/c9-16(14,15)7-3-8(13)12(5-7)6-1-2-10-11-4-6/h1-2,4,7H,3,5H2
InChIKeyIKAWNVFENVJMPJ-UHFFFAOYSA-N
XLogP-0.12
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pyridazin-4-ylpyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-pyridazin-4-ylpyrrolidine-3-sulfonyl fluoride (CID 168716164) is 5-oxo-1-pyridazin-4-ylpyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-pyridazin-4-ylpyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-pyridazin-4-ylpyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1ccnnc1.
What is the InChIKey of 5-oxo-1-pyridazin-4-ylpyrrolidine-3-sulfonyl fluoride?
The InChIKey is IKAWNVFENVJMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O3S/c9-16(14,15)7-3-8(13)12(5-7)6-1-2-10-11-4-6/h1-2,4,7H,3,5H2.
What are the key properties of 5-oxo-1-pyridazin-4-ylpyrrolidine-3-sulfonyl fluoride?
5-oxo-1-pyridazin-4-ylpyrrolidine-3-sulfonyl fluoride has a molecular weight of 245.23 g/mol, XLogP of -0.12, 2 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-ylpyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168716164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).