2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine

C17H19ClN2O4S — CID 129418000

IUPAC2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](Oc2cccc(C)n2)C1
InChIInChI=1S/C17H19ClN2O4S/c1-12-4-3-5-17(19-12)24-14-8-9-20(11-14)25(21,22)16-10-13(18)6-7-15(16)23-2/h3-7,10,14H,8-9,11H2,1-2H3/t14-/m0/s1
InChIKeyVYKAWLPZQGLAKL-AWEZNQCLSA-N
MW382.87 g/mol
LogP2.89
Rot. Bonds5

About 2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine

2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine (PubChem CID 129418000) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine.

Molecular Properties

Compound Name2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
PubChem CID129418000
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](Oc2cccc(C)n2)C1
InChIInChI=1S/C17H19ClN2O4S/c1-12-4-3-5-17(19-12)24-14-8-9-20(11-14)25(21,22)16-10-13(18)6-7-15(16)23-2/h3-7,10,14H,8-9,11H2,1-2H3/t14-/m0/s1
InChIKeyVYKAWLPZQGLAKL-AWEZNQCLSA-N
XLogP2.89
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine
CID 122249748
4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine
CID 121162883
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637251
4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
CID 121161732
N-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methylpyrimidin-4-amine
CID 171336303
2-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 121017608
2-[(3S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 129355041
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine
CID 71799633
3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638526
5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 119100836
2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892345
(3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine
CID 97427292

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine?
The IUPAC name of 2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine (CID 129418000) is 2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine.
What is the SMILES notation for 2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine?
The canonical SMILES for 2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine is COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](Oc2cccc(C)n2)C1.
What is the InChIKey of 2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine?
The InChIKey is VYKAWLPZQGLAKL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-12-4-3-5-17(19-12)24-14-8-9-20(11-14)25(21,22)16-10-13(18)6-7-15(16)23-2/h3-7,10,14H,8-9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine?
2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine has a molecular weight of 382.87 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine is sourced from PubChem (CID 129418000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).