1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-one

C11H12FNO3S — CID 22725383

IUPAC1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3S/c1-8-2-7-11(14)13(8)17(15,16)10-5-3-9(12)4-6-10/h3-6,8H,2,7H2,1H3
InChIKeyAEZFJBNTUGXHCY-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.53
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-one

1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-one (PubChem CID 22725383) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-one
PubChem CID22725383
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC Name1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3S/c1-8-2-7-11(14)13(8)17(15,16)10-5-3-9(12)4-6-10/h3-6,8H,2,7H2,1H3
InChIKeyAEZFJBNTUGXHCY-UHFFFAOYSA-N
XLogP1.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-one (CID 22725383) is 1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-one is CC1CCC(=O)N1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-one?
The InChIKey is AEZFJBNTUGXHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c1-8-2-7-11(14)13(8)17(15,16)10-5-3-9(12)4-6-10/h3-6,8H,2,7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-one?
1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-one has a molecular weight of 257.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-one is sourced from PubChem (CID 22725383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).