2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile

C16H14FN3O4S — CID 122252630

IUPAC2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CC(Oc2cc(C#N)ccn2)C1
InChIInChI=1S/C16H14FN3O4S/c1-23-14-3-2-12(17)7-15(14)25(21,22)20-9-13(10-20)24-16-6-11(8-18)4-5-19-16/h2-7,13H,9-10H2,1H3
InChIKeyQTFWHQSENQWDLO-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.55
Rot. Bonds5

About 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile

2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252630) has the molecular formula C16H14FN3O4S and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252630
Molecular FormulaC16H14FN3O4S
Molecular Weight363.37 g/mol
Exact Mass363.07
IUPAC Name2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CC(Oc2cc(C#N)ccn2)C1
InChIInChI=1S/C16H14FN3O4S/c1-23-14-3-2-12(17)7-15(14)25(21,22)20-9-13(10-20)24-16-6-11(8-18)4-5-19-16/h2-7,13H,9-10H2,1H3
InChIKeyQTFWHQSENQWDLO-UHFFFAOYSA-N
XLogP1.55
TPSA92.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252604
2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252639
2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile
CID 122252600
2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine
CID 122249748
2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252663
2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile
CID 122252682
2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252403
2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252345
2-[1-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252691
2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252535
2-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252256
3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide
CID 122252567

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252630) is 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile is COc1ccc(F)cc1S(=O)(=O)N1CC(Oc2cc(C#N)ccn2)C1.
What is the InChIKey of 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is QTFWHQSENQWDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4S/c1-23-14-3-2-12(17)7-15(14)25(21,22)20-9-13(10-20)24-16-6-11(8-18)4-5-19-16/h2-7,13H,9-10H2,1H3.
What are the key properties of 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 363.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).