3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole

C11H11FN2O3S — CID 53499958

IUPAC3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESCCc1noc(CS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C11H11FN2O3S/c1-2-10-13-11(17-14-10)7-18(15,16)9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3
InChIKeyJQADAQGROHMBFK-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.75
Rot. Bonds4

About 3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole

3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole (PubChem CID 53499958) has the molecular formula C11H11FN2O3S and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
PubChem CID53499958
Molecular FormulaC11H11FN2O3S
Molecular Weight270.28 g/mol
Exact Mass270.05
IUPAC Name3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESCCc1noc(CS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C11H11FN2O3S/c1-2-10-13-11(17-14-10)7-18(15,16)9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3
InChIKeyJQADAQGROHMBFK-UHFFFAOYSA-N
XLogP1.75
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole (CID 53499958) is 3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole is CCc1noc(CS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The InChIKey is JQADAQGROHMBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3S/c1-2-10-13-11(17-14-10)7-18(15,16)9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3.
What are the key properties of 3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole has a molecular weight of 270.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53499958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).