3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

C18H17ClN6O2S — CID 53073252

IUPAC3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccc(N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C18H17ClN6O2S/c19-14-2-4-15(5-3-14)28(26,27)17-7-6-16(22-23-17)24-10-12-25(13-11-24)18-20-8-1-9-21-18/h1-9H,10-13H2
InChIKeyPEHMJRMULWLRAD-UHFFFAOYSA-N
MW416.89 g/mol
LogP2.08
Rot. Bonds4

About 3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (PubChem CID 53073252) has the molecular formula C18H17ClN6O2S and a molecular weight of 416.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
PubChem CID53073252
Molecular FormulaC18H17ClN6O2S
Molecular Weight416.89 g/mol
Exact Mass416.08
IUPAC Name3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccc(N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C18H17ClN6O2S/c19-14-2-4-15(5-3-14)28(26,27)17-7-6-16(22-23-17)24-10-12-25(13-11-24)18-20-8-1-9-21-18/h1-9H,10-13H2
InChIKeyPEHMJRMULWLRAD-UHFFFAOYSA-N
XLogP2.08
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine
CID 53073249
3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine
CID 53033983
2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 47439803
[5-(4-chlorophenyl)sulfonylthiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53124684
2-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]pyrimidine
CID 2738375
3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine
CID 27373691
3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 113043949
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 23605772
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490672
1-[6-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335077
N-(4-chlorophenyl)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-amine
CID 59867442

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (CID 53073252) is 3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is O=S(=O)(c1ccc(Cl)cc1)c1ccc(N2CCN(c3ncccn3)CC2)nn1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is PEHMJRMULWLRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O2S/c19-14-2-4-15(5-3-14)28(26,27)17-7-6-16(22-23-17)24-10-12-25(13-11-24)18-20-8-1-9-21-18/h1-9H,10-13H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 416.89 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 53073252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).