pyridazine-3-sulfonyl fluoride

C4H3FN2O2S — CID 22591562

IUPACpyridazine-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1cccnn1
InChIInChI=1S/C4H3FN2O2S/c5-10(8,9)4-2-1-3-6-7-4/h1-3H
InChIKeyRPMVNJIDKSTXAO-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.13
Rot. Bonds1

About pyridazine-3-sulfonyl fluoride

pyridazine-3-sulfonyl fluoride (PubChem CID 22591562) has the molecular formula C4H3FN2O2S and a molecular weight of 162.15 g/mol. Its IUPAC name is pyridazine-3-sulfonyl fluoride.

Molecular Properties

Compound Namepyridazine-3-sulfonyl fluoride
PubChem CID22591562
Molecular FormulaC4H3FN2O2S
Molecular Weight162.15 g/mol
Exact Mass161.99
IUPAC Namepyridazine-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1cccnn1
InChIInChI=1S/C4H3FN2O2S/c5-10(8,9)4-2-1-3-6-7-4/h1-3H
InChIKeyRPMVNJIDKSTXAO-UHFFFAOYSA-N
XLogP0.13
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methylsulfonylpyridazine
CID 292490
Pyridazine-3-sulfonamide
CID 23076742
5-(Trifluoromethyl)pyridazine-3-sulfonamide
CID 126818891
3-(Methylsulfinyl)pyridazine
CID 90767340
4-Methanesulfonylpyridazine
CID 119087664
Pyridazine-3-sulfonic acid
CID 21711839
3-Fluoropyridazine-4-sulfonyl chloride
CID 87328613
Pyridazin-1-ium-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 118253792
4-Chloropyridazine-3-sulfonyl fluoride
CID 141170990
Pyridazine;trifluoromethanesulfonic acid
CID 171926559
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid;pyridazine
CID 173589931
CID 177800937
CID 177800937

Frequently Asked Questions

What is the IUPAC name of pyridazine-3-sulfonyl fluoride?
The IUPAC name of pyridazine-3-sulfonyl fluoride (CID 22591562) is pyridazine-3-sulfonyl fluoride.
What is the SMILES notation for pyridazine-3-sulfonyl fluoride?
The canonical SMILES for pyridazine-3-sulfonyl fluoride is O=S(=O)(F)c1cccnn1.
What is the InChIKey of pyridazine-3-sulfonyl fluoride?
The InChIKey is RPMVNJIDKSTXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2S/c5-10(8,9)4-2-1-3-6-7-4/h1-3H.
What are the key properties of pyridazine-3-sulfonyl fluoride?
pyridazine-3-sulfonyl fluoride has a molecular weight of 162.15 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazine-3-sulfonyl fluoride is sourced from PubChem (CID 22591562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).