1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone

C16H15ClN2O4S — CID 122248172

IUPAC1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CC(Oc3ncccc3Cl)C2)cc1
InChIInChI=1S/C16H15ClN2O4S/c1-11(20)12-4-6-14(7-5-12)24(21,22)19-9-13(10-19)23-16-15(17)3-2-8-18-16/h2-8,13H,9-10H2,1H3
InChIKeyVXPIVHBWPWDQKI-UHFFFAOYSA-N
MW366.83 g/mol
LogP2.39
Rot. Bonds5

About 1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone

1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 122248172) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is 1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone
PubChem CID122248172
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CC(Oc3ncccc3Cl)C2)cc1
InChIInChI=1S/C16H15ClN2O4S/c1-11(20)12-4-6-14(7-5-12)24(21,22)19-9-13(10-19)23-16-15(17)3-2-8-18-16/h2-8,13H,9-10H2,1H3
InChIKeyVXPIVHBWPWDQKI-UHFFFAOYSA-N
XLogP2.39
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone
CID 122248570
3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine
CID 122248138
3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248183
1-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 79036967
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 122247943
methyl 4-[(3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylbenzoate
CID 129417585
3-bromo-2-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122250176
1-[4-(4-pyrimidin-4-yloxypiperidin-1-yl)sulfonylphenyl]ethanone
CID 121162251
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone
CID 122247908
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
CID 122247872
1-(4-chlorophenyl)-4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]butane-1,4-dione
CID 122247841
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122247334

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone (CID 122248172) is 1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CC(Oc3ncccc3Cl)C2)cc1.
What is the InChIKey of 1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is VXPIVHBWPWDQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-11(20)12-4-6-14(7-5-12)24(21,22)19-9-13(10-19)23-16-15(17)3-2-8-18-16/h2-8,13H,9-10H2,1H3.
What are the key properties of 1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone?
1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 366.83 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 122248172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).