3-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine

C15H17ClN4O2S — CID 42110765

IUPAC3-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
SMILESCS(=O)(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C15H17ClN4O2S/c1-23(21,22)20-10-8-19(9-11-20)15-7-6-14(17-18-15)12-2-4-13(16)5-3-12/h2-7H,8-11H2,1H3
InChIKeyBPWNCLVIPYISHP-UHFFFAOYSA-N
MW352.85 g/mol
LogP1.88
Rot. Bonds3

About 3-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine

3-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine (PubChem CID 42110765) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
PubChem CID42110765
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC Name3-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
SMILESCS(=O)(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C15H17ClN4O2S/c1-23(21,22)20-10-8-19(9-11-20)15-7-6-14(17-18-15)12-2-4-13(16)5-3-12/h2-7H,8-11H2,1H3
InChIKeyBPWNCLVIPYISHP-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine (CID 42110765) is 3-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine is CS(=O)(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine?
The InChIKey is BPWNCLVIPYISHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-23(21,22)20-10-8-19(9-11-20)15-7-6-14(17-18-15)12-2-4-13(16)5-3-12/h2-7H,8-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine?
3-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine has a molecular weight of 352.85 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 42110765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).