3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine

C15H13Cl3N2O3S — CID 122248183

IUPAC3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine
SMILESCc1cc(S(=O)(=O)N2CC(Oc3ncccc3Cl)C2)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl3N2O3S/c1-9-5-14(13(18)6-12(9)17)24(21,22)20-7-10(8-20)23-15-11(16)3-2-4-19-15/h2-6,10H,7-8H2,1H3
InChIKeyFHUUNIMEHLQMCQ-UHFFFAOYSA-N
MW407.71 g/mol
LogP3.80
Rot. Bonds4

About 3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine

3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine (PubChem CID 122248183) has the molecular formula C15H13Cl3N2O3S and a molecular weight of 407.71 g/mol. Its IUPAC name is 3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine
PubChem CID122248183
Molecular FormulaC15H13Cl3N2O3S
Molecular Weight407.71 g/mol
Exact Mass405.97
IUPAC Name3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine
SMILESCc1cc(S(=O)(=O)N2CC(Oc3ncccc3Cl)C2)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl3N2O3S/c1-9-5-14(13(18)6-12(9)17)24(21,22)20-7-10(8-20)23-15-11(16)3-2-4-19-15/h2-6,10H,7-8H2,1H3
InChIKeyFHUUNIMEHLQMCQ-UHFFFAOYSA-N
XLogP3.80
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.71
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone
CID 122248172
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558922
3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine
CID 122248138
4-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155731
4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine
CID 122160912
(3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7749543
4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine
CID 155801121
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine
CID 71799633
3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridazine
CID 90559750
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine
CID 71799317
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637208

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine?
The IUPAC name of 3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine (CID 122248183) is 3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine.
What is the SMILES notation for 3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine?
The canonical SMILES for 3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine is Cc1cc(S(=O)(=O)N2CC(Oc3ncccc3Cl)C2)c(Cl)cc1Cl.
What is the InChIKey of 3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine?
The InChIKey is FHUUNIMEHLQMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O3S/c1-9-5-14(13(18)6-12(9)17)24(21,22)20-7-10(8-20)23-15-11(16)3-2-4-19-15/h2-6,10H,7-8H2,1H3.
What are the key properties of 3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine?
3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine has a molecular weight of 407.71 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine is sourced from PubChem (CID 122248183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).