3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine

C19H17Cl2N5O2S — CID 90490634

IUPAC3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C19H17Cl2N5O2S/c20-14-4-5-15(21)18(13-14)29(27,28)26-11-9-25(10-12-26)19-7-6-17(23-24-19)16-3-1-2-8-22-16/h1-8,13H,9-12H2
InChIKeyWPKSPIFTELSHCP-UHFFFAOYSA-N
MW450.35 g/mol
LogP3.36
Rot. Bonds4

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

3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine (PubChem CID 90490634) has the molecular formula C19H17Cl2N5O2S and a molecular weight of 450.35 g/mol. Its IUPAC name is 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
PubChem CID90490634
Molecular FormulaC19H17Cl2N5O2S
Molecular Weight450.35 g/mol
Exact Mass449.05
IUPAC Name3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C19H17Cl2N5O2S/c20-14-4-5-15(21)18(13-14)29(27,28)26-11-9-25(10-12-26)19-7-6-17(23-24-19)16-3-1-2-8-22-16/h1-8,13H,9-12H2
InChIKeyWPKSPIFTELSHCP-UHFFFAOYSA-N
XLogP3.36
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490660
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490672
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121052944
4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 121053132
3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 25283779
3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 121058580
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053007
3-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490637
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 112818291
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065023
3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490653
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine?
The IUPAC name of 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine (CID 90490634) is 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine.
What is the SMILES notation for 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine?
The canonical SMILES for 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine is O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(-c3ccccn3)nn2)CC1.
What is the InChIKey of 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine?
The InChIKey is WPKSPIFTELSHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O2S/c20-14-4-5-15(21)18(13-14)29(27,28)26-11-9-25(10-12-26)19-7-6-17(23-24-19)16-3-1-2-8-22-16/h1-8,13H,9-12H2.
What are the key properties of 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine?
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine has a molecular weight of 450.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine is sourced from PubChem (CID 90490634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).