2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile

C15H12FN3O3S — CID 122252604

IUPAC2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(S(=O)(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C15H12FN3O3S/c16-12-1-3-14(4-2-12)23(20,21)19-9-13(10-19)22-15-7-11(8-17)5-6-18-15/h1-7,13H,9-10H2
InChIKeyZZWYSQYWEHIRPT-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.54
Rot. Bonds4

About 2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile

2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252604) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252604
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC Name2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(S(=O)(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C15H12FN3O3S/c16-12-1-3-14(4-2-12)23(20,21)19-9-13(10-19)22-15-7-11(8-17)5-6-18-15/h1-7,13H,9-10H2
InChIKeyZZWYSQYWEHIRPT-UHFFFAOYSA-N
XLogP1.54
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252663
2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252630
2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252639
2-[1-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252691
2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile
CID 122252600
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122247334
2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile
CID 122252682
2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252535
5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248528
2-cyclobutyloxypyridine-4-carbonitrile
CID 62140074
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627703
4-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]sulfonylbenzonitrile
CID 90627782

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252604) is 2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile is N#Cc1ccnc(OC2CN(S(=O)(=O)c3ccc(F)cc3)C2)c1.
What is the InChIKey of 2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is ZZWYSQYWEHIRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/c16-12-1-3-14(4-2-12)23(20,21)19-9-13(10-19)22-15-7-11(8-17)5-6-18-15/h1-7,13H,9-10H2.
What are the key properties of 2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 333.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).