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

C11H12FNO3S — CID 63100968

IUPAC1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO3S/c1-8-6-11(14)13(7-8)17(15,16)10-4-2-9(12)3-5-10/h2-5,8H,6-7H2,1H3
InChIKeyVGBXTGMFSTZGRA-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.38
Rot. Bonds2

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

1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one (PubChem CID 63100968) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one
PubChem CID63100968
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO3S/c1-8-6-11(14)13(7-8)17(15,16)10-4-2-9(12)3-5-10/h2-5,8H,6-7H2,1H3
InChIKeyVGBXTGMFSTZGRA-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
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-4-methylpyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one (CID 63100968) is 1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one is CC1CC(=O)N(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one?
The InChIKey is VGBXTGMFSTZGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c1-8-6-11(14)13(7-8)17(15,16)10-4-2-9(12)3-5-10/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one?
1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one has a molecular weight of 257.29 g/mol, XLogP of 1.38, 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-4-methylpyrrolidin-2-one is sourced from PubChem (CID 63100968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).