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

C19H25N5O4S — CID 122335405

IUPAC4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
SMILESCOc1ccccc1S(=O)(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C19H25N5O4S/c1-27-16-4-2-3-5-17(16)29(25,26)24-10-8-22(9-11-24)18-6-7-19(21-20-18)23-12-14-28-15-13-23/h2-7H,8-15H2,1H3
InChIKeyQTNZMYJDWUVWGJ-UHFFFAOYSA-N
MW419.51 g/mol
LogP0.83
Rot. Bonds5

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

4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine (PubChem CID 122335405) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is 4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
PubChem CID122335405
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC Name4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
SMILESCOc1ccccc1S(=O)(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C19H25N5O4S/c1-27-16-4-2-3-5-17(16)29(25,26)24-10-8-22(9-11-24)18-6-7-19(21-20-18)23-12-14-28-15-13-23/h2-7H,8-15H2,1H3
InChIKeyQTNZMYJDWUVWGJ-UHFFFAOYSA-N
XLogP0.83
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335122
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-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060911
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347561
4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 162660548
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 121053132
3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine
CID 122334805
4-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9186566

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine (CID 122335405) is 4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine is COc1ccccc1S(=O)(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of 4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
The InChIKey is QTNZMYJDWUVWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4S/c1-27-16-4-2-3-5-17(16)29(25,26)24-10-8-22(9-11-24)18-6-7-19(21-20-18)23-12-14-28-15-13-23/h2-7H,8-15H2,1H3.
What are the key properties of 4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine?
4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine has a molecular weight of 419.51 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 122335405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).