8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline

C20H19FN2O3S — CID 124760482

IUPAC8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
SMILESCc1cc(S(=O)(=O)N2CC[C@H](Oc3cccc4cccnc34)C2)ccc1F
InChIInChI=1S/C20H19FN2O3S/c1-14-12-17(7-8-18(14)21)27(24,25)23-11-9-16(13-23)26-19-6-2-4-15-5-3-10-22-20(15)19/h2-8,10,12,16H,9,11,13H2,1H3/t16-/m0/s1
InChIKeyMLOWVUVEFGTUMY-INIZCTEOSA-N
MW386.45 g/mol
LogP3.52
Rot. Bonds4

About 8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline

8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline (PubChem CID 124760482) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline.

Molecular Properties

Compound Name8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
PubChem CID124760482
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
SMILESCc1cc(S(=O)(=O)N2CC[C@H](Oc3cccc4cccnc34)C2)ccc1F
InChIInChI=1S/C20H19FN2O3S/c1-14-12-17(7-8-18(14)21)27(24,25)23-11-9-16(13-23)26-19-6-2-4-15-5-3-10-22-20(15)19/h2-8,10,12,16H,9,11,13H2,1H3/t16-/m0/s1
InChIKeyMLOWVUVEFGTUMY-INIZCTEOSA-N
XLogP3.52
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline
CID 121157275
8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124759299
3-methyl-5-(3-quinolin-8-yloxypyrrolidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 91815124
3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine
CID 124888903
8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline
CID 124760261
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
8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline
CID 121157270
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129416787
4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine
CID 110358899
8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline
CID 171701848
2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91904282

Frequently Asked Questions

What is the IUPAC name of 8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline?
The IUPAC name of 8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline (CID 124760482) is 8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline.
What is the SMILES notation for 8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline?
The canonical SMILES for 8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline is Cc1cc(S(=O)(=O)N2CC[C@H](Oc3cccc4cccnc34)C2)ccc1F.
What is the InChIKey of 8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline?
The InChIKey is MLOWVUVEFGTUMY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-14-12-17(7-8-18(14)21)27(24,25)23-11-9-16(13-23)26-19-6-2-4-15-5-3-10-22-20(15)19/h2-8,10,12,16H,9,11,13H2,1H3/t16-/m0/s1.
What are the key properties of 8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline?
8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline has a molecular weight of 386.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline is sourced from PubChem (CID 124760482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).