1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one

C19H21N3O4S — CID 75495313

IUPAC1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N2CCC(Oc3cccnc3)C2)cc1
InChIInChI=1S/C19H21N3O4S/c23-19-4-2-11-22(19)15-5-7-18(8-6-15)27(24,25)21-12-9-17(14-21)26-16-3-1-10-20-13-16/h1,3,5-8,10,13,17H,2,4,9,11-12,14H2
InChIKeyURBRQMHCUVPYHK-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.05
Rot. Bonds5

About 1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one

1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one (PubChem CID 75495313) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
PubChem CID75495313
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N2CCC(Oc3cccnc3)C2)cc1
InChIInChI=1S/C19H21N3O4S/c23-19-4-2-11-22(19)15-5-7-18(8-6-15)27(24,25)21-12-9-17(14-21)26-16-3-1-10-20-13-16/h1,3,5-8,10,13,17H,2,4,9,11-12,14H2
InChIKeyURBRQMHCUVPYHK-UHFFFAOYSA-N
XLogP2.05
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495315
3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129381835
7-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-3,4-dihydro-2H-isoquinolin-1-one
CID 128998759
6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 129325738
3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine
CID 129325414
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495330
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylmorpholine
CID 75495327
3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862
(3R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41024996
2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636355
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one (CID 75495313) is 1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(S(=O)(=O)N2CCC(Oc3cccnc3)C2)cc1.
What is the InChIKey of 1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The InChIKey is URBRQMHCUVPYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c23-19-4-2-11-22(19)15-5-7-18(8-6-15)27(24,25)21-12-9-17(14-21)26-16-3-1-10-20-13-16/h1,3,5-8,10,13,17H,2,4,9,11-12,14H2.
What are the key properties of 1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one has a molecular weight of 387.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 75495313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).