3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine

C18H16ClFN4O3S — CID 42109392

IUPAC3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C18H16ClFN4O3S/c19-14-12-13(3-4-15(14)20)28(25,26)24-9-7-23(8-10-24)18-6-5-16(21-22-18)17-2-1-11-27-17/h1-6,11-12H,7-10H2
InChIKeyPAAUDUIXCZZKFB-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.04
Rot. Bonds4

About 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine

3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine (PubChem CID 42109392) has the molecular formula C18H16ClFN4O3S and a molecular weight of 422.87 g/mol. Its IUPAC name is 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
PubChem CID42109392
Molecular FormulaC18H16ClFN4O3S
Molecular Weight422.87 g/mol
Exact Mass422.06
IUPAC Name3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C18H16ClFN4O3S/c19-14-12-13(3-4-15(14)20)28(25,26)24-9-7-23(8-10-24)18-6-5-16(21-22-18)17-2-1-11-27-17/h1-6,11-12H,7-10H2
InChIKeyPAAUDUIXCZZKFB-UHFFFAOYSA-N
XLogP3.04
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490672
3-(furan-2-yl)-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyridazine
CID 25283799
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
CID 25283790
3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
CID 121058607
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110748
1-[6-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843190
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 23762678
3-chloro-6-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 56584208
3-(2,4-dichlorophenyl)-6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060769
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 122344247
3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341388

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine?
The IUPAC name of 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine (CID 42109392) is 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine.
What is the SMILES notation for 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine?
The canonical SMILES for 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine?
The InChIKey is PAAUDUIXCZZKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O3S/c19-14-12-13(3-4-15(14)20)28(25,26)24-9-7-23(8-10-24)18-6-5-16(21-22-18)17-2-1-11-27-17/h1-6,11-12H,7-10H2.
What are the key properties of 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine?
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine has a molecular weight of 422.87 g/mol, XLogP of 3.04, 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-(furan-2-yl)pyridazine is sourced from PubChem (CID 42109392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).