3,6-dichloro-4-methylsulfonylpyridazine

C5H4Cl2N2O2S — CID 58045789

IUPAC3,6-dichloro-4-methylsulfonylpyridazine
SMILESCS(=O)(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C5H4Cl2N2O2S/c1-12(10,11)3-2-4(6)8-9-5(3)7/h2H,1H3
InChIKeyNISDEPLHDSHPIO-UHFFFAOYSA-N
MW227.07 g/mol
LogP1.19
Rot. Bonds1

About 3,6-dichloro-4-methylsulfonylpyridazine

3,6-dichloro-4-methylsulfonylpyridazine (PubChem CID 58045789) has the molecular formula C5H4Cl2N2O2S and a molecular weight of 227.07 g/mol. Its IUPAC name is 3,6-dichloro-4-methylsulfonylpyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-methylsulfonylpyridazine
PubChem CID58045789
Molecular FormulaC5H4Cl2N2O2S
Molecular Weight227.07 g/mol
Exact Mass225.94
IUPAC Name3,6-dichloro-4-methylsulfonylpyridazine
SMILESCS(=O)(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C5H4Cl2N2O2S/c1-12(10,11)3-2-4(6)8-9-5(3)7/h2H,1H3
InChIKeyNISDEPLHDSHPIO-UHFFFAOYSA-N
XLogP1.19
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.07
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6-dichloro-4-methylsulfonylpyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-methylsulfonylpyridazine?
The IUPAC name of 3,6-dichloro-4-methylsulfonylpyridazine (CID 58045789) is 3,6-dichloro-4-methylsulfonylpyridazine.
What is the SMILES notation for 3,6-dichloro-4-methylsulfonylpyridazine?
The canonical SMILES for 3,6-dichloro-4-methylsulfonylpyridazine is CS(=O)(=O)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-4-methylsulfonylpyridazine?
The InChIKey is NISDEPLHDSHPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2O2S/c1-12(10,11)3-2-4(6)8-9-5(3)7/h2H,1H3.
What are the key properties of 3,6-dichloro-4-methylsulfonylpyridazine?
3,6-dichloro-4-methylsulfonylpyridazine has a molecular weight of 227.07 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-methylsulfonylpyridazine is sourced from PubChem (CID 58045789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).