3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine

C18H19ClN6O3S — CID 122339150

IUPAC3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C18H19ClN6O3S/c1-28-15-4-3-14(19)13-16(15)29(26,27)24-11-9-23(10-12-24)17-5-6-18(22-21-17)25-8-2-7-20-25/h2-8,13H,9-12H2,1H3
InChIKeyVVFHSIOPKLIHJI-UHFFFAOYSA-N
MW434.91 g/mol
LogP1.84
Rot. Bonds5

About 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine

3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine (PubChem CID 122339150) has the molecular formula C18H19ClN6O3S and a molecular weight of 434.91 g/mol. Its IUPAC name is 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine.

Molecular Properties

Compound Name3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine
PubChem CID122339150
Molecular FormulaC18H19ClN6O3S
Molecular Weight434.91 g/mol
Exact Mass434.09
IUPAC Name3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C18H19ClN6O3S/c1-28-15-4-3-14(19)13-16(15)29(26,27)24-11-9-23(10-12-24)17-5-6-18(22-21-17)25-8-2-7-20-25/h2-8,13H,9-12H2,1H3
InChIKeyVVFHSIOPKLIHJI-UHFFFAOYSA-N
XLogP1.84
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
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3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
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3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490660
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine
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2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide
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4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122342145
4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 121072422
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
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4-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 30868047
6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine
CID 122351859
3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163387
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine?
The IUPAC name of 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine (CID 122339150) is 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine.
What is the SMILES notation for 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine?
The canonical SMILES for 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine?
The InChIKey is VVFHSIOPKLIHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O3S/c1-28-15-4-3-14(19)13-16(15)29(26,27)24-11-9-23(10-12-24)17-5-6-18(22-21-17)25-8-2-7-20-25/h2-8,13H,9-12H2,1H3.
What are the key properties of 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine?
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine has a molecular weight of 434.91 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine is sourced from PubChem (CID 122339150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).