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

C13H9FN2O3S2 — CID 2822463

IUPAC3-[(4-fluorophenyl)sulfonylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(-c2cccs2)n1)c1ccc(F)cc1
InChIInChI=1S/C13H9FN2O3S2/c14-9-3-5-10(6-4-9)21(17,18)8-12-15-13(19-16-12)11-2-1-7-20-11/h1-7H,8H2
InChIKeyZDQZUHSSQHCPIC-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.91
Rot. Bonds4

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

3-[(4-fluorophenyl)sulfonylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 2822463) has the molecular formula C13H9FN2O3S2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID2822463
Molecular FormulaC13H9FN2O3S2
Molecular Weight324.36 g/mol
Exact Mass324.00
IUPAC Name3-[(4-fluorophenyl)sulfonylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(-c2cccs2)n1)c1ccc(F)cc1
InChIInChI=1S/C13H9FN2O3S2/c14-9-3-5-10(6-4-9)21(17,18)8-12-15-13(19-16-12)11-2-1-7-20-11/h1-7H,8H2
InChIKeyZDQZUHSSQHCPIC-UHFFFAOYSA-N
XLogP2.91
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole (CID 2822463) is 3-[(4-fluorophenyl)sulfonylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole is O=S(=O)(Cc1noc(-c2cccs2)n1)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is ZDQZUHSSQHCPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O3S2/c14-9-3-5-10(6-4-9)21(17,18)8-12-15-13(19-16-12)11-2-1-7-20-11/h1-7H,8H2.
What are the key properties of 3-[(4-fluorophenyl)sulfonylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
3-[(4-fluorophenyl)sulfonylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 324.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2822463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).