methyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate

C14H15FO5S — CID 67266948

IUPACmethyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate
SMILESCOC(=O)C(C1CCC(=O)C1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H15FO5S/c1-20-14(17)13(9-5-6-11(16)7-9)21(18,19)12-4-2-3-10(15)8-12/h2-4,8-9,13H,5-7H2,1H3
InChIKeyCQSJPKYXDLPCEH-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.51
Rot. Bonds4

About methyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate

methyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate (PubChem CID 67266948) has the molecular formula C14H15FO5S and a molecular weight of 314.33 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate
PubChem CID67266948
Molecular FormulaC14H15FO5S
Molecular Weight314.33 g/mol
Exact Mass314.06
IUPAC Namemethyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate
SMILESCOC(=O)C(C1CCC(=O)C1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H15FO5S/c1-20-14(17)13(9-5-6-11(16)7-9)21(18,19)12-4-2-3-10(15)8-12/h2-4,8-9,13H,5-7H2,1H3
InChIKeyCQSJPKYXDLPCEH-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate?
The IUPAC name of methyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate (CID 67266948) is methyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate?
The canonical SMILES for methyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate is COC(=O)C(C1CCC(=O)C1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of methyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate?
The InChIKey is CQSJPKYXDLPCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO5S/c1-20-14(17)13(9-5-6-11(16)7-9)21(18,19)12-4-2-3-10(15)8-12/h2-4,8-9,13H,5-7H2,1H3.
What are the key properties of methyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate?
methyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate has a molecular weight of 314.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate is sourced from PubChem (CID 67266948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).