3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine

C19H24Cl2N6O2S — CID 121052944

IUPAC3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
SMILESCN1CCN(c2ccc(N3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)nn2)CC1
InChIInChI=1S/C19H24Cl2N6O2S/c1-24-6-8-25(9-7-24)18-4-5-19(23-22-18)26-10-12-27(13-11-26)30(28,29)17-14-15(20)2-3-16(17)21/h2-5,14H,6-13H2,1H3
InChIKeyDFZKRGPLWRKWLS-UHFFFAOYSA-N
MW471.41 g/mol
LogP2.05
Rot. Bonds4

About 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine

3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine (PubChem CID 121052944) has the molecular formula C19H24Cl2N6O2S and a molecular weight of 471.41 g/mol. Its IUPAC name is 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
PubChem CID121052944
Molecular FormulaC19H24Cl2N6O2S
Molecular Weight471.41 g/mol
Exact Mass470.11
IUPAC Name3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
SMILESCN1CCN(c2ccc(N3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)nn2)CC1
InChIInChI=1S/C19H24Cl2N6O2S/c1-24-6-8-25(9-7-24)18-4-5-19(23-22-18)26-10-12-27(13-11-26)30(28,29)17-14-15(20)2-3-16(17)21/h2-5,14H,6-13H2,1H3
InChIKeyDFZKRGPLWRKWLS-UHFFFAOYSA-N
XLogP2.05
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 121053132
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053007
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 112818291
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343590
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490634
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921546
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065023
4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline
CID 54888361
3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121053243
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine (CID 121052944) is 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine is CN1CCN(c2ccc(N3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)nn2)CC1.
What is the InChIKey of 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine?
The InChIKey is DFZKRGPLWRKWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N6O2S/c1-24-6-8-25(9-7-24)18-4-5-19(23-22-18)26-10-12-27(13-11-26)30(28,29)17-14-15(20)2-3-16(17)21/h2-5,14H,6-13H2,1H3.
What are the key properties of 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine?
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine has a molecular weight of 471.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 121052944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).