3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine

C17H19BrN2O3S — CID 122250176

IUPAC3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine
SMILESCCCc1ccc(S(=O)(=O)N2CC(Oc3ncccc3Br)C2)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-2-4-13-6-8-15(9-7-13)24(21,22)20-11-14(12-20)23-17-16(18)5-3-10-19-17/h3,5-10,14H,2,4,11-12H2,1H3
InChIKeyNIGWSLONSXKNRQ-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.25
Rot. Bonds6

About 3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine

3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine (PubChem CID 122250176) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine
PubChem CID122250176
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine
SMILESCCCc1ccc(S(=O)(=O)N2CC(Oc3ncccc3Br)C2)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-2-4-13-6-8-15(9-7-13)24(21,22)20-11-14(12-20)23-17-16(18)5-3-10-19-17/h3,5-10,14H,2,4,11-12H2,1H3
InChIKeyNIGWSLONSXKNRQ-UHFFFAOYSA-N
XLogP3.25
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90637218
methyl 4-[(3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylbenzoate
CID 129417585
6-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248982
1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone
CID 122248172
3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine
CID 63871954
1-[2-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 122250144
4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120585465
1-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-4-phenylbutan-1-one
CID 122249968
3-chloro-1-(4-propylphenyl)sulfonylpyrrolidine
CID 63400652
4-[(3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine
CID 129416726
3-bromo-2-(4-methylcyclohexyl)oxypyridine
CID 61373555
4-[1-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617485

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine?
The IUPAC name of 3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine (CID 122250176) is 3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine.
What is the SMILES notation for 3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine?
The canonical SMILES for 3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine is CCCc1ccc(S(=O)(=O)N2CC(Oc3ncccc3Br)C2)cc1.
What is the InChIKey of 3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine?
The InChIKey is NIGWSLONSXKNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-2-4-13-6-8-15(9-7-13)24(21,22)20-11-14(12-20)23-17-16(18)5-3-10-19-17/h3,5-10,14H,2,4,11-12H2,1H3.
What are the key properties of 3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine?
3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine has a molecular weight of 411.32 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine is sourced from PubChem (CID 122250176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).