1-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one

C16H17FN2O3S — CID 53161836

IUPAC1-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=c1c(S(=O)(=O)N2CCCC2)cccn1Cc1cccc(F)c1
InChIInChI=1S/C16H17FN2O3S/c17-14-6-3-5-13(11-14)12-18-8-4-7-15(16(18)20)23(21,22)19-9-1-2-10-19/h3-8,11H,1-2,9-10,12H2
InChIKeyCGXOWBMEZIFSOL-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.82
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one

1-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 53161836) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID53161836
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name1-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=c1c(S(=O)(=O)N2CCCC2)cccn1Cc1cccc(F)c1
InChIInChI=1S/C16H17FN2O3S/c17-14-6-3-5-13(11-14)12-18-8-4-7-15(16(18)20)23(21,22)19-9-1-2-10-19/h3-8,11H,1-2,9-10,12H2
InChIKeyCGXOWBMEZIFSOL-UHFFFAOYSA-N
XLogP1.82
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9507526
N-(4-fluorobenzyl)-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]methanesulfonamide
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Cambridge id 6876922
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1-[2-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 16290982
1-[1-(4-Fluorophenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 16303645
1-[(3-Fluorophenyl)methyl]-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one
CID 30996037
1-(2-chlorobenzyl)-3-(pyrrolidin-1-ylsulfonyl)pyridin-2(1H)-one
CID 49666256
1-(2-chloro-6-fluorobenzyl)-3-(pyrrolidin-1-ylsulfonyl)pyridin-2(1H)-one
CID 49666258
1-(2-chloro-4-fluorobenzyl)-3-(pyrrolidin-1-ylsulfonyl)pyridin-2(1H)-one
CID 49666259
1-(2-fluorobenzyl)-5-(piperidin-1-ylsulfonyl)pyridin-2(1H)-one
CID 49666978
1-(4-fluorobenzyl)-5-(piperidin-1-ylsulfonyl)pyridin-2(1H)-one
CID 49666979

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 53161836) is 1-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one is O=c1c(S(=O)(=O)N2CCCC2)cccn1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is CGXOWBMEZIFSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c17-14-6-3-5-13(11-14)12-18-8-4-7-15(16(18)20)23(21,22)19-9-1-2-10-19/h3-8,11H,1-2,9-10,12H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 336.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 53161836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).