4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine

C15H15ClN2O3S — CID 155801121

IUPAC4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine
SMILESCc1cc(OC2CN(S(=O)(=O)c3ccccc3Cl)C2)ccn1
InChIInChI=1S/C15H15ClN2O3S/c1-11-8-12(6-7-17-11)21-13-9-18(10-13)22(19,20)15-5-3-2-4-14(15)16/h2-8,13H,9-10H2,1H3
InChIKeyISVNGDOWJHYEKY-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.50
Rot. Bonds4

About 4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine

4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine (PubChem CID 155801121) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine
PubChem CID155801121
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine
SMILESCc1cc(OC2CN(S(=O)(=O)c3ccccc3Cl)C2)ccn1
InChIInChI=1S/C15H15ClN2O3S/c1-11-8-12(6-7-17-11)21-13-9-18(10-13)22(19,20)15-5-3-2-4-14(15)16/h2-8,13H,9-10H2,1H3
InChIKeyISVNGDOWJHYEKY-UHFFFAOYSA-N
XLogP2.50
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248183
4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide
CID 122257105
2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide
CID 155801171
4-cyclobutyloxy-2-methylpyridine
CID 70661228
5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122267332
1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine
CID 101248459
(3aR,6aS)-5-(2-chlorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042402
1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595
2-methyl-4-(1-methylpiperidin-4-yl)oxypyridine
CID 70213870
2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247775
4-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155731
1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine
CID 68555914

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine?
The IUPAC name of 4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine (CID 155801121) is 4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine.
What is the SMILES notation for 4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine?
The canonical SMILES for 4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine is Cc1cc(OC2CN(S(=O)(=O)c3ccccc3Cl)C2)ccn1.
What is the InChIKey of 4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine?
The InChIKey is ISVNGDOWJHYEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-11-8-12(6-7-17-11)21-13-9-18(10-13)22(19,20)15-5-3-2-4-14(15)16/h2-8,13H,9-10H2,1H3.
What are the key properties of 4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine?
4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine has a molecular weight of 338.82 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine is sourced from PubChem (CID 155801121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).