3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazole

C9H7FN2O3S — CID 141290058

IUPAC3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(-c2ncon2)cc1F
InChIInChI=1S/C9H7FN2O3S/c1-16(13,14)8-3-2-6(4-7(8)10)9-11-5-15-12-9/h2-5H,1H3
InChIKeyKYCURONIEPYNGL-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.28
Rot. Bonds2

About 3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazole

3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazole (PubChem CID 141290058) has the molecular formula C9H7FN2O3S and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazole
PubChem CID141290058
Molecular FormulaC9H7FN2O3S
Molecular Weight242.23 g/mol
Exact Mass242.02
IUPAC Name3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(-c2ncon2)cc1F
InChIInChI=1S/C9H7FN2O3S/c1-16(13,14)8-3-2-6(4-7(8)10)9-11-5-15-12-9/h2-5H,1H3
InChIKeyKYCURONIEPYNGL-UHFFFAOYSA-N
XLogP1.28
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazole (CID 141290058) is 3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazole is CS(=O)(=O)c1ccc(-c2ncon2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazole?
The InChIKey is KYCURONIEPYNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O3S/c1-16(13,14)8-3-2-6(4-7(8)10)9-11-5-15-12-9/h2-5H,1H3.
What are the key properties of 3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazole?
3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazole has a molecular weight of 242.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 141290058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).