1-(4-fluorophenyl)sulfonylpyrrolidin-2-one

C10H10FNO3S — CID 3161862

IUPAC1-(4-fluorophenyl)sulfonylpyrrolidin-2-one
SMILESO=C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO3S/c11-8-3-5-9(6-4-8)16(14,15)12-7-1-2-10(12)13/h3-6H,1-2,7H2
InChIKeyMARYKGHPPKBCIS-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.14
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonylpyrrolidin-2-one

1-(4-fluorophenyl)sulfonylpyrrolidin-2-one (PubChem CID 3161862) has the molecular formula C10H10FNO3S and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonylpyrrolidin-2-one
PubChem CID3161862
Molecular FormulaC10H10FNO3S
Molecular Weight243.26 g/mol
Exact Mass243.04
IUPAC Name1-(4-fluorophenyl)sulfonylpyrrolidin-2-one
SMILESO=C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO3S/c11-8-3-5-9(6-4-8)16(14,15)12-7-1-2-10(12)13/h3-6H,1-2,7H2
InChIKeyMARYKGHPPKBCIS-UHFFFAOYSA-N
XLogP1.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonylpyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)sulfonylpyrrolidin-2-one (CID 3161862) is 1-(4-fluorophenyl)sulfonylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonylpyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)sulfonylpyrrolidin-2-one is O=C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonylpyrrolidin-2-one?
The InChIKey is MARYKGHPPKBCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3S/c11-8-3-5-9(6-4-8)16(14,15)12-7-1-2-10(12)13/h3-6H,1-2,7H2.
What are the key properties of 1-(4-fluorophenyl)sulfonylpyrrolidin-2-one?
1-(4-fluorophenyl)sulfonylpyrrolidin-2-one has a molecular weight of 243.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonylpyrrolidin-2-one is sourced from PubChem (CID 3161862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).