3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine

C23H24N4O2S — CID 94858075

IUPAC3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine
SMILESCc1ccccc1-c1ccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nn1
InChIInChI=1S/C23H24N4O2S/c1-19-7-5-6-10-21(19)22-11-12-23(25-24-22)26-14-16-27(17-15-26)30(28,29)18-13-20-8-3-2-4-9-20/h2-13,18H,14-17H2,1H3/b18-13+
InChIKeyKVDDXLMQFKKBFE-QGOAFFKASA-N
MW420.54 g/mol
LogP3.57
Rot. Bonds5

About 3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine

3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine (PubChem CID 94858075) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine
PubChem CID94858075
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine
SMILESCc1ccccc1-c1ccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nn1
InChIInChI=1S/C23H24N4O2S/c1-19-7-5-6-10-21(19)22-11-12-23(25-24-22)26-14-16-27(17-15-26)30(28,29)18-13-20-8-3-2-4-9-20/h2-13,18H,14-17H2,1H3/b18-13+
InChIKeyKVDDXLMQFKKBFE-QGOAFFKASA-N
XLogP3.57
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.57
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-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine
CID 121060791
N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122351509
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
(E)-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one
CID 121060058
8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline
CID 121060900
6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 122347759
1-methyl-4-[[6-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]piperazine
CID 2997914
1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 121060031
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one
CID 116973128
6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347259

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine (CID 94858075) is 3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine is Cc1ccccc1-c1ccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nn1.
What is the InChIKey of 3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is KVDDXLMQFKKBFE-QGOAFFKASA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-19-7-5-6-10-21(19)22-11-12-23(25-24-22)26-14-16-27(17-15-26)30(28,29)18-13-20-8-3-2-4-9-20/h2-13,18H,14-17H2,1H3/b18-13+.
What are the key properties of 3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine?
3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 420.54 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 94858075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).