3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

C22H24N4O4S — CID 121060911

IUPAC3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCOc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccccc4OC)CC3)nn2)cc1
InChIInChI=1S/C22H24N4O4S/c1-29-18-9-7-17(8-10-18)19-11-12-22(24-23-19)25-13-15-26(16-14-25)31(27,28)21-6-4-3-5-20(21)30-2/h3-12H,13-16H2,1-2H3
InChIKeyORBRLHVLFFCRBO-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.67
Rot. Bonds6

About 3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 121060911) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID121060911
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCOc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccccc4OC)CC3)nn2)cc1
InChIInChI=1S/C22H24N4O4S/c1-29-18-9-7-17(8-10-18)19-11-12-22(24-23-19)25-13-15-26(16-14-25)31(27,28)21-6-4-3-5-20(21)30-2/h3-12H,13-16H2,1-2H3
InChIKeyORBRLHVLFFCRBO-UHFFFAOYSA-N
XLogP2.67
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335122
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenyl)pyridazine
CID 42110751
4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335405
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121061006
3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 90539670
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801
3-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyridin-4-ylpyridazine
CID 25283732
6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347561
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine
CID 121060849
3-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine
CID 42110742
3-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyridazine
CID 121060684

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 121060911) is 3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is COc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccccc4OC)CC3)nn2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is ORBRLHVLFFCRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-29-18-9-7-17(8-10-18)19-11-12-22(24-23-19)25-13-15-26(16-14-25)31(27,28)21-6-4-3-5-20(21)30-2/h3-12H,13-16H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 440.53 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 121060911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).