2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine

C15H14F2N2O3S — CID 129416787

IUPAC2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CC[C@@H](Oc2ccccn2)C1
InChIInChI=1S/C15H14F2N2O3S/c16-13-5-4-12(9-14(13)17)23(20,21)19-8-6-11(10-19)22-15-3-1-2-7-18-15/h1-5,7,9,11H,6,8,10H2/t11-/m1/s1
InChIKeyHJRAJCSKGOLVJR-LLVKDONJSA-N
MW340.35 g/mol
LogP2.20
Rot. Bonds4

About 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine

2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine (PubChem CID 129416787) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine
PubChem CID129416787
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC Name2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CC[C@@H](Oc2ccccn2)C1
InChIInChI=1S/C15H14F2N2O3S/c16-13-5-4-12(9-14(13)17)23(20,21)19-8-6-11(10-19)22-15-3-1-2-7-18-15/h1-5,7,9,11H,6,8,10H2/t11-/m1/s1
InChIKeyHJRAJCSKGOLVJR-LLVKDONJSA-N
XLogP2.20
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636413
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122247334
4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline
CID 89245431
6-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 129416823
3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine
CID 124888903
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252163
2-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636398
3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine
CID 90639393
8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124760482
2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
CID 122251181
2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine
CID 90559144

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine?
The IUPAC name of 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine (CID 129416787) is 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine is O=S(=O)(c1ccc(F)c(F)c1)N1CC[C@@H](Oc2ccccn2)C1.
What is the InChIKey of 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine?
The InChIKey is HJRAJCSKGOLVJR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c16-13-5-4-12(9-14(13)17)23(20,21)19-8-6-11(10-19)22-15-3-1-2-7-18-15/h1-5,7,9,11H,6,8,10H2/t11-/m1/s1.
What are the key properties of 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine?
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine has a molecular weight of 340.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 129416787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).