pyridazine-4-sulfonyl chloride

C4H3ClN2O2S — CID 53435585

IUPACpyridazine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnnc1
InChIInChI=1S/C4H3ClN2O2S/c5-10(8,9)4-1-2-6-7-3-4/h1-3H
InChIKeyAYZPJBSMVFOYRE-UHFFFAOYSA-N
MW178.60 g/mol
LogP0.40
Rot. Bonds1

About pyridazine-4-sulfonyl chloride

pyridazine-4-sulfonyl chloride (PubChem CID 53435585) has the molecular formula C4H3ClN2O2S and a molecular weight of 178.60 g/mol. Its IUPAC name is pyridazine-4-sulfonyl chloride.

Molecular Properties

Compound Namepyridazine-4-sulfonyl chloride
PubChem CID53435585
Molecular FormulaC4H3ClN2O2S
Molecular Weight178.60 g/mol
Exact Mass177.96
IUPAC Namepyridazine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnnc1
InChIInChI=1S/C4H3ClN2O2S/c5-10(8,9)4-1-2-6-7-3-4/h1-3H
InChIKeyAYZPJBSMVFOYRE-UHFFFAOYSA-N
XLogP0.40
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.60
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridazine-4-sulfonyl chloride?
The IUPAC name of pyridazine-4-sulfonyl chloride (CID 53435585) is pyridazine-4-sulfonyl chloride.
What is the SMILES notation for pyridazine-4-sulfonyl chloride?
The canonical SMILES for pyridazine-4-sulfonyl chloride is O=S(=O)(Cl)c1ccnnc1.
What is the InChIKey of pyridazine-4-sulfonyl chloride?
The InChIKey is AYZPJBSMVFOYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2O2S/c5-10(8,9)4-1-2-6-7-3-4/h1-3H.
What are the key properties of pyridazine-4-sulfonyl chloride?
pyridazine-4-sulfonyl chloride has a molecular weight of 178.60 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazine-4-sulfonyl chloride is sourced from PubChem (CID 53435585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).