2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one

C18H15FN4O3S — CID 139027961

IUPAC2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1CN(S(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C18H15FN4O3S/c19-15-3-1-2-4-17(15)27(25,26)22-11-14(12-22)23-18(24)6-5-16(21-23)13-7-9-20-10-8-13/h1-10,14H,11-12H2
InChIKeyKZOHXDTZZIOIHY-UHFFFAOYSA-N
MW386.41 g/mol
LogP1.69
Rot. Bonds4

About 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one

2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 139027961) has the molecular formula C18H15FN4O3S and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID139027961
Molecular FormulaC18H15FN4O3S
Molecular Weight386.41 g/mol
Exact Mass386.08
IUPAC Name2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1CN(S(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C18H15FN4O3S/c19-15-3-1-2-4-17(15)27(25,26)22-11-14(12-22)23-18(24)6-5-16(21-23)13-7-9-20-10-8-13/h1-10,14H,11-12H2
InChIKeyKZOHXDTZZIOIHY-UHFFFAOYSA-N
XLogP1.69
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one
CID 30864679
2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 139027657
4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine
CID 122256039
5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 110270616
4-(2-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 127246296
6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936811
4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 124969146
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 4807266
2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936787
6-phenyl-2-piperidin-4-ylpyridazin-3-one
CID 82105182
1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine
CID 61046286
5-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 121097382

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one (CID 139027961) is 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one is O=c1ccc(-c2ccncc2)nn1C1CN(S(=O)(=O)c2ccccc2F)C1.
What is the InChIKey of 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is KZOHXDTZZIOIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3S/c19-15-3-1-2-4-17(15)27(25,26)22-11-14(12-22)23-18(24)6-5-16(21-23)13-7-9-20-10-8-13/h1-10,14H,11-12H2.
What are the key properties of 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one?
2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 386.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 139027961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).