4-chloropyridazine-3-sulfonyl fluoride

C4H2ClFN2O2S — CID 141170990

IUPAC4-chloropyridazine-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1nnccc1Cl
InChIInChI=1S/C4H2ClFN2O2S/c5-3-1-2-7-8-4(3)11(6,9)10/h1-2H
InChIKeyFIJIUMYNUXYUKU-UHFFFAOYSA-N
MW196.59 g/mol
LogP0.79
Rot. Bonds1

About 4-chloropyridazine-3-sulfonyl fluoride

4-chloropyridazine-3-sulfonyl fluoride (PubChem CID 141170990) has the molecular formula C4H2ClFN2O2S and a molecular weight of 196.59 g/mol. Its IUPAC name is 4-chloropyridazine-3-sulfonyl fluoride.

Molecular Properties

Compound Name4-chloropyridazine-3-sulfonyl fluoride
PubChem CID141170990
Molecular FormulaC4H2ClFN2O2S
Molecular Weight196.59 g/mol
Exact Mass195.95
IUPAC Name4-chloropyridazine-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1nnccc1Cl
InChIInChI=1S/C4H2ClFN2O2S/c5-3-1-2-7-8-4(3)11(6,9)10/h1-2H
InChIKeyFIJIUMYNUXYUKU-UHFFFAOYSA-N
XLogP0.79
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloropyridazine-3-sulfonyl fluoride?
The IUPAC name of 4-chloropyridazine-3-sulfonyl fluoride (CID 141170990) is 4-chloropyridazine-3-sulfonyl fluoride.
What is the SMILES notation for 4-chloropyridazine-3-sulfonyl fluoride?
The canonical SMILES for 4-chloropyridazine-3-sulfonyl fluoride is O=S(=O)(F)c1nnccc1Cl.
What is the InChIKey of 4-chloropyridazine-3-sulfonyl fluoride?
The InChIKey is FIJIUMYNUXYUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClFN2O2S/c5-3-1-2-7-8-4(3)11(6,9)10/h1-2H.
What are the key properties of 4-chloropyridazine-3-sulfonyl fluoride?
4-chloropyridazine-3-sulfonyl fluoride has a molecular weight of 196.59 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyridazine-3-sulfonyl fluoride is sourced from PubChem (CID 141170990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).