3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine

C23H22Cl2N4O2S — CID 121060791

IUPAC3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine
SMILESCc1ccc(/C=C\S(=O)(=O)N2CCN(c3ccc(-c4ccc(Cl)cc4Cl)nn3)CC2)cc1
InChIInChI=1S/C23H22Cl2N4O2S/c1-17-2-4-18(5-3-17)10-15-32(30,31)29-13-11-28(12-14-29)23-9-8-22(26-27-23)20-7-6-19(24)16-21(20)25/h2-10,15-16H,11-14H2,1H3/b15-10-
InChIKeyYAHUSQKEASHASX-GDNBJRDFSA-N
MW489.43 g/mol
LogP4.88
Rot. Bonds5

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

3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine (PubChem CID 121060791) has the molecular formula C23H22Cl2N4O2S and a molecular weight of 489.43 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine
PubChem CID121060791
Molecular FormulaC23H22Cl2N4O2S
Molecular Weight489.43 g/mol
Exact Mass488.08
IUPAC Name3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine
SMILESCc1ccc(/C=C\S(=O)(=O)N2CCN(c3ccc(-c4ccc(Cl)cc4Cl)nn3)CC2)cc1
InChIInChI=1S/C23H22Cl2N4O2S/c1-17-2-4-18(5-3-17)10-15-32(30,31)29-13-11-28(12-14-29)23-9-8-22(26-27-23)20-7-6-19(24)16-21(20)25/h2-10,15-16H,11-14H2,1H3/b15-10-
InChIKeyYAHUSQKEASHASX-GDNBJRDFSA-N
XLogP4.88
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490687
3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine
CID 94858075
3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060769
6-[4-[2-(4-methylphenyl)ethenylsulfonyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 71961435
6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347259
N,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 122340410
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 122338122
4-(2-methylimidazol-1-yl)-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 122338878
N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122351509
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482
1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine
CID 32737598
N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide
CID 46148158

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine (CID 121060791) is 3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine is Cc1ccc(/C=C\S(=O)(=O)N2CCN(c3ccc(-c4ccc(Cl)cc4Cl)nn3)CC2)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is YAHUSQKEASHASX-GDNBJRDFSA-N. The full InChI is InChI=1S/C23H22Cl2N4O2S/c1-17-2-4-18(5-3-17)10-15-32(30,31)29-13-11-28(12-14-29)23-9-8-22(26-27-23)20-7-6-19(24)16-21(20)25/h2-10,15-16H,11-14H2,1H3/b15-10-.
What are the key properties of 3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine?
3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 489.43 g/mol, XLogP of 4.88, 5 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-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 121060791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).