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

C20H17Cl2IN4O2S — CID 121060769

IUPAC3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESO=S(=O)(c1ccc(I)cc1)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1
InChIInChI=1S/C20H17Cl2IN4O2S/c21-14-1-6-17(18(22)13-14)19-7-8-20(25-24-19)26-9-11-27(12-10-26)30(28,29)16-4-2-15(23)3-5-16/h1-8,13H,9-12H2
InChIKeyQJJRFQCSTMNVMV-UHFFFAOYSA-N
MW575.26 g/mol
LogP4.57
Rot. Bonds4

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

3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 121060769) has the molecular formula C20H17Cl2IN4O2S and a molecular weight of 575.26 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID121060769
Molecular FormulaC20H17Cl2IN4O2S
Molecular Weight575.26 g/mol
Exact Mass573.95
IUPAC Name3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESO=S(=O)(c1ccc(I)cc1)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1
InChIInChI=1S/C20H17Cl2IN4O2S/c21-14-1-6-17(18(22)13-14)19-7-8-20(25-24-19)26-9-11-27(12-10-26)30(28,29)16-4-2-15(23)3-5-16/h1-8,13H,9-12H2
InChIKeyQJJRFQCSTMNVMV-UHFFFAOYSA-N
XLogP4.57
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.26
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine
CID 121060791
3-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyridazine
CID 121060684
1-[6-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843190
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110748
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490672
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
CID 42109392
4-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122340632
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490634
1-[6-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335077
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121052944

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine (CID 121060769) is 3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine is O=S(=O)(c1ccc(I)cc1)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is QJJRFQCSTMNVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2IN4O2S/c21-14-1-6-17(18(22)13-14)19-7-8-20(25-24-19)26-9-11-27(12-10-26)30(28,29)16-4-2-15(23)3-5-16/h1-8,13H,9-12H2.
What are the key properties of 3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine?
3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 575.26 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 121060769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).