[(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate

C14H15FO5S — CID 172816018

IUPAC[(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate
SMILESCC(=O)OC(C1CCC(=O)C1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H15FO5S/c1-9(16)20-14(10-5-6-12(17)7-10)21(18,19)13-4-2-3-11(15)8-13/h2-4,8,10,14H,5-7H2,1H3
InChIKeySUWALABQWXZHTE-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.86
Rot. Bonds4

About [(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate

[(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate (PubChem CID 172816018) has the molecular formula C14H15FO5S and a molecular weight of 314.33 g/mol. Its IUPAC name is [(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate.

Molecular Properties

Compound Name[(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate
PubChem CID172816018
Molecular FormulaC14H15FO5S
Molecular Weight314.33 g/mol
Exact Mass314.06
IUPAC Name[(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate
SMILESCC(=O)OC(C1CCC(=O)C1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H15FO5S/c1-9(16)20-14(10-5-6-12(17)7-10)21(18,19)13-4-2-3-11(15)8-13/h2-4,8,10,14H,5-7H2,1H3
InChIKeySUWALABQWXZHTE-UHFFFAOYSA-N
XLogP1.86
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate?
The IUPAC name of [(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate (CID 172816018) is [(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate.
What is the SMILES notation for [(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate?
The canonical SMILES for [(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate is CC(=O)OC(C1CCC(=O)C1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of [(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate?
The InChIKey is SUWALABQWXZHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO5S/c1-9(16)20-14(10-5-6-12(17)7-10)21(18,19)13-4-2-3-11(15)8-13/h2-4,8,10,14H,5-7H2,1H3.
What are the key properties of [(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate?
[(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate has a molecular weight of 314.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate is sourced from PubChem (CID 172816018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).