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

C15H11FN2O3S — CID 570532

IUPAC3-[(4-fluorophenyl)sulfonylmethyl]-5-phenyl-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(-c2ccccc2)n1)c1ccc(F)cc1
InChIInChI=1S/C15H11FN2O3S/c16-12-6-8-13(9-7-12)22(19,20)10-14-17-15(21-18-14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyILUQIJGGZQVRLD-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.85
Rot. Bonds4

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

3-[(4-fluorophenyl)sulfonylmethyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 570532) has the molecular formula C15H11FN2O3S and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylmethyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylmethyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID570532
Molecular FormulaC15H11FN2O3S
Molecular Weight318.33 g/mol
Exact Mass318.05
IUPAC Name3-[(4-fluorophenyl)sulfonylmethyl]-5-phenyl-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(-c2ccccc2)n1)c1ccc(F)cc1
InChIInChI=1S/C15H11FN2O3S/c16-12-6-8-13(9-7-12)22(19,20)10-14-17-15(21-18-14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyILUQIJGGZQVRLD-UHFFFAOYSA-N
XLogP2.85
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylmethyl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylmethyl]-5-phenyl-1,2,4-oxadiazole (CID 570532) is 3-[(4-fluorophenyl)sulfonylmethyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylmethyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylmethyl]-5-phenyl-1,2,4-oxadiazole is O=S(=O)(Cc1noc(-c2ccccc2)n1)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylmethyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is ILUQIJGGZQVRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3S/c16-12-6-8-13(9-7-12)22(19,20)10-14-17-15(21-18-14)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 3-[(4-fluorophenyl)sulfonylmethyl]-5-phenyl-1,2,4-oxadiazole?
3-[(4-fluorophenyl)sulfonylmethyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 318.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylmethyl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 570532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).