3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine

C20H24FN3O3S — CID 124888903

IUPAC3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cc1F
InChIInChI=1S/C20H24FN3O3S/c1-15-6-7-17(13-18(15)21)28(25,26)24-12-8-16(14-24)27-19-5-4-9-22-20(19)23-10-2-3-11-23/h4-7,9,13,16H,2-3,8,10-12,14H2,1H3/t16-/m1/s1
InChIKeyUBRVAJZEYDIJIV-MRXNPFEDSA-N
MW405.50 g/mol
LogP2.97
Rot. Bonds5

About 3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine

3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine (PubChem CID 124888903) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine
PubChem CID124888903
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cc1F
InChIInChI=1S/C20H24FN3O3S/c1-15-6-7-17(13-18(15)21)28(25,26)24-12-8-16(14-24)27-19-5-4-9-22-20(19)23-10-2-3-11-23/h4-7,9,13,16H,2-3,8,10-12,14H2,1H3/t16-/m1/s1
InChIKeyUBRVAJZEYDIJIV-MRXNPFEDSA-N
XLogP2.97
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine
CID 124741053
8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124760482
2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91904282
2-methyl-3-[1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 128998572
2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129337329
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129416787
(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291700
2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129476531
4-methyl-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylbenzonitrile
CID 129337794
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636413
8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124759299
1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine
CID 128999371

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine (CID 124888903) is 3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine is Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cc1F.
What is the InChIKey of 3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine?
The InChIKey is UBRVAJZEYDIJIV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-15-6-7-17(13-18(15)21)28(25,26)24-12-8-16(14-24)27-19-5-4-9-22-20(19)23-10-2-3-11-23/h4-7,9,13,16H,2-3,8,10-12,14H2,1H3/t16-/m1/s1.
What are the key properties of 3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine?
3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine has a molecular weight of 405.50 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 124888903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).