3-fluoropyridazine-4-sulfonyl chloride

C4H2ClFN2O2S — CID 87328613

IUPAC3-fluoropyridazine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnnc1F
InChIInChI=1S/C4H2ClFN2O2S/c5-11(9,10)3-1-2-7-8-4(3)6/h1-2H
InChIKeyRVEIUHSVRRTDLG-UHFFFAOYSA-N
MW196.59 g/mol
LogP0.54
Rot. Bonds1

About 3-fluoropyridazine-4-sulfonyl chloride

3-fluoropyridazine-4-sulfonyl chloride (PubChem CID 87328613) has the molecular formula C4H2ClFN2O2S and a molecular weight of 196.59 g/mol. Its IUPAC name is 3-fluoropyridazine-4-sulfonyl chloride.

Molecular Properties

Compound Name3-fluoropyridazine-4-sulfonyl chloride
PubChem CID87328613
Molecular FormulaC4H2ClFN2O2S
Molecular Weight196.59 g/mol
Exact Mass195.95
IUPAC Name3-fluoropyridazine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnnc1F
InChIInChI=1S/C4H2ClFN2O2S/c5-11(9,10)3-1-2-7-8-4(3)6/h1-2H
InChIKeyRVEIUHSVRRTDLG-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropyridazine-4-sulfonyl chloride?
The IUPAC name of 3-fluoropyridazine-4-sulfonyl chloride (CID 87328613) is 3-fluoropyridazine-4-sulfonyl chloride.
What is the SMILES notation for 3-fluoropyridazine-4-sulfonyl chloride?
The canonical SMILES for 3-fluoropyridazine-4-sulfonyl chloride is O=S(=O)(Cl)c1ccnnc1F.
What is the InChIKey of 3-fluoropyridazine-4-sulfonyl chloride?
The InChIKey is RVEIUHSVRRTDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClFN2O2S/c5-11(9,10)3-1-2-7-8-4(3)6/h1-2H.
What are the key properties of 3-fluoropyridazine-4-sulfonyl chloride?
3-fluoropyridazine-4-sulfonyl chloride has a molecular weight of 196.59 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyridazine-4-sulfonyl chloride is sourced from PubChem (CID 87328613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).