1-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

C16H17FN2O3S — CID 30996037

IUPAC1-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1cccc(F)c1
InChIInChI=1S/C16H17FN2O3S/c17-14-5-3-4-13(10-14)11-18-12-15(6-7-16(18)20)23(21,22)19-8-1-2-9-19/h3-7,10,12H,1-2,8-9,11H2
InChIKeyJRQUHHYVZJOPJQ-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.82
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

1-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 30996037) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID30996037
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name1-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1cccc(F)c1
InChIInChI=1S/C16H17FN2O3S/c17-14-5-3-4-13(10-14)11-18-12-15(6-7-16(18)20)23(21,22)19-8-1-2-9-19/h3-7,10,12H,1-2,8-9,11H2
InChIKeyJRQUHHYVZJOPJQ-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

1-[(4-Fluorophenyl)methyl]-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one
CID 9507526
N-(4-fluorobenzyl)-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]methanesulfonamide
CID 6459123
Cambridge id 6876922
CID 1167450
5-Benzylidene-3-(4-fluorobenzyl)thiazolidine-2,4-dione
CID 1231283
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-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 24527575
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]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 30996037) is 1-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is JRQUHHYVZJOPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c17-14-5-3-4-13(10-14)11-18-12-15(6-7-16(18)20)23(21,22)19-8-1-2-9-19/h3-7,10,12H,1-2,8-9,11H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-[(3-fluorophenyl)methyl]-5-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]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 30996037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).