5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole

C15H16F2N2O3S — CID 146130162

IUPAC5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(C2CCCCC2)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N2O3S/c16-12-7-6-11(8-13(12)17)23(20,21)9-14-18-15(22-19-14)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyGZSQDPTUUCXDGO-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.37
Rot. Bonds4

About 5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole

5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole (PubChem CID 146130162) has the molecular formula C15H16F2N2O3S and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
PubChem CID146130162
Molecular FormulaC15H16F2N2O3S
Molecular Weight342.37 g/mol
Exact Mass342.08
IUPAC Name5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(C2CCCCC2)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N2O3S/c16-12-7-6-11(8-13(12)17)23(20,21)9-14-18-15(22-19-14)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyGZSQDPTUUCXDGO-UHFFFAOYSA-N
XLogP3.37
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole (CID 146130162) is 5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole is O=S(=O)(Cc1noc(C2CCCCC2)n1)c1ccc(F)c(F)c1.
What is the InChIKey of 5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The InChIKey is GZSQDPTUUCXDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3S/c16-12-7-6-11(8-13(12)17)23(20,21)9-14-18-15(22-19-14)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2.
What are the key properties of 5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole has a molecular weight of 342.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146130162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).