8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline

C19H17FN2O2S — CID 2738249

IUPAC8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2S/c20-16-10-8-14(9-11-16)17-6-3-13-22(17)25(23,24)18-7-1-4-15-5-2-12-21-19(15)18/h1-2,4-5,7-12,17H,3,6,13H2
InChIKeyPVRIFDUVNFYWRJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.90
Rot. Bonds3

About 8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline

8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline (PubChem CID 2738249) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline
PubChem CID2738249
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2S/c20-16-10-8-14(9-11-16)17-6-3-13-22(17)25(23,24)18-7-1-4-15-5-2-12-21-19(15)18/h1-2,4-5,7-12,17H,3,6,13H2
InChIKeyPVRIFDUVNFYWRJ-UHFFFAOYSA-N
XLogP3.90
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(4-fluorophenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-one
CID 91602279
3-(4-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 3959570
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
N-(2-fluorophenyl)-5-[(2S)-1-quinolin-8-ylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95071657
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
8-piperidin-1-ylsulfonylquinoline
CID 768759
N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 123756072
(4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone
CID 5309053
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
CID 51611902
(2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 51035281
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline (CID 2738249) is 8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline is O=S(=O)(c1cccc2cccnc12)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline?
The InChIKey is PVRIFDUVNFYWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c20-16-10-8-14(9-11-16)17-6-3-13-22(17)25(23,24)18-7-1-4-15-5-2-12-21-19(15)18/h1-2,4-5,7-12,17H,3,6,13H2.
What are the key properties of 8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline?
8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline has a molecular weight of 356.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline is sourced from PubChem (CID 2738249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).