2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine

C16H17FN2O4S — CID 122249748

IUPAC2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CC(Oc2cccc(C)n2)C1
InChIInChI=1S/C16H17FN2O4S/c1-11-4-3-5-16(18-11)23-13-9-19(10-13)24(20,21)15-8-12(17)6-7-14(15)22-2/h3-8,13H,9-10H2,1-2H3
InChIKeyBVPQJDURJSDSSP-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.99
Rot. Bonds5

About 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine

2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine (PubChem CID 122249748) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine
PubChem CID122249748
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CC(Oc2cccc(C)n2)C1
InChIInChI=1S/C16H17FN2O4S/c1-11-4-3-5-16(18-11)23-13-9-19(10-13)24(20,21)15-8-12(17)6-7-14(15)22-2/h3-8,13H,9-10H2,1-2H3
InChIKeyBVPQJDURJSDSSP-UHFFFAOYSA-N
XLogP1.99
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129418000
2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252630
methyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate
CID 122249784
2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252170
2-methyl-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxypyridine
CID 122249733
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine
CID 122249741
3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163387
3-benzyl-5-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121093257
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine
CID 71799633
N-(2,3-dimethoxyphenyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122249694

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine?
The IUPAC name of 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine (CID 122249748) is 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine.
What is the SMILES notation for 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine?
The canonical SMILES for 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine is COc1ccc(F)cc1S(=O)(=O)N1CC(Oc2cccc(C)n2)C1.
What is the InChIKey of 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine?
The InChIKey is BVPQJDURJSDSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-11-4-3-5-16(18-11)23-13-9-19(10-13)24(20,21)15-8-12(17)6-7-14(15)22-2/h3-8,13H,9-10H2,1-2H3.
What are the key properties of 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine?
2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine has a molecular weight of 352.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine is sourced from PubChem (CID 122249748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).