methyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)acetate

C14H15FO5S — CID 67266687

IUPACmethyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)acetate
SMILESCOC(=O)C(F)(C1CCC(=O)C1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15FO5S/c1-20-13(17)14(15,10-7-8-11(16)9-10)21(18,19)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3
InChIKeyZTARWDFOHHZEOM-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.67
Rot. Bonds4

About methyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)acetate

methyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)acetate (PubChem CID 67266687) has the molecular formula C14H15FO5S and a molecular weight of 314.33 g/mol. Its IUPAC name is methyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)acetate.

Molecular Properties

Compound Namemethyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)acetate
PubChem CID67266687
Molecular FormulaC14H15FO5S
Molecular Weight314.33 g/mol
Exact Mass314.06
IUPAC Namemethyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)acetate
SMILESCOC(=O)C(F)(C1CCC(=O)C1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15FO5S/c1-20-13(17)14(15,10-7-8-11(16)9-10)21(18,19)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3
InChIKeyZTARWDFOHHZEOM-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)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 methyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)acetate?
The IUPAC name of methyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)acetate (CID 67266687) is methyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)acetate.
What is the SMILES notation for methyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)acetate?
The canonical SMILES for methyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)acetate is COC(=O)C(F)(C1CCC(=O)C1)S(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)acetate?
The InChIKey is ZTARWDFOHHZEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO5S/c1-20-13(17)14(15,10-7-8-11(16)9-10)21(18,19)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3.
What are the key properties of methyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)acetate?
methyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)acetate has a molecular weight of 314.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzenesulfonyl)-2-fluoro-2-(3-oxocyclopentyl)acetate is sourced from PubChem (CID 67266687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).