3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine

C19H17ClFN5O2S — CID 90490672

IUPAC3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C19H17ClFN5O2S/c20-15-13-14(4-5-16(15)21)29(27,28)26-11-9-25(10-12-26)19-7-6-18(23-24-19)17-3-1-2-8-22-17/h1-8,13H,9-12H2
InChIKeyOXFXHBXEYPLVQF-UHFFFAOYSA-N
MW433.90 g/mol
LogP2.84
Rot. Bonds4

About 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine

3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine (PubChem CID 90490672) has the molecular formula C19H17ClFN5O2S and a molecular weight of 433.90 g/mol. Its IUPAC name is 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
PubChem CID90490672
Molecular FormulaC19H17ClFN5O2S
Molecular Weight433.90 g/mol
Exact Mass433.08
IUPAC Name3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C19H17ClFN5O2S/c20-15-13-14(4-5-16(15)21)29(27,28)26-11-9-25(10-12-26)19-7-6-18(23-24-19)17-3-1-2-8-22-17/h1-8,13H,9-12H2
InChIKeyOXFXHBXEYPLVQF-UHFFFAOYSA-N
XLogP2.84
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490634
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
CID 42109392
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490660
3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 25283779
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110748
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 23762678
3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 121058580
1-(4-chlorophenyl)sulfonyl-4-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,4-diazepane
CID 53181810
1-[6-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843190
4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 122344247
3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490653
3-chloro-6-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 56584208

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine?
The IUPAC name of 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine (CID 90490672) is 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine.
What is the SMILES notation for 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine?
The canonical SMILES for 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1.
What is the InChIKey of 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine?
The InChIKey is OXFXHBXEYPLVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O2S/c20-15-13-14(4-5-16(15)21)29(27,28)26-11-9-25(10-12-26)19-7-6-18(23-24-19)17-3-1-2-8-22-17/h1-8,13H,9-12H2.
What are the key properties of 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine?
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine has a molecular weight of 433.90 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine is sourced from PubChem (CID 90490672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).