2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole

C15H17FN2O3S — CID 23000798

IUPAC2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2CCCCC2S(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C15H17FN2O3S/c1-10-17-18-15(21-10)13-4-2-3-5-14(13)22(19,20)12-8-6-11(16)7-9-12/h6-9,13-14H,2-5H2,1H3
InChIKeyXJQUPRNFXHCQOU-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.02
Rot. Bonds3

About 2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole

2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 23000798) has the molecular formula C15H17FN2O3S and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole
PubChem CID23000798
Molecular FormulaC15H17FN2O3S
Molecular Weight324.38 g/mol
Exact Mass324.09
IUPAC Name2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2CCCCC2S(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C15H17FN2O3S/c1-10-17-18-15(21-10)13-4-2-3-5-14(13)22(19,20)12-8-6-11(16)7-9-12/h6-9,13-14H,2-5H2,1H3
InChIKeyXJQUPRNFXHCQOU-UHFFFAOYSA-N
XLogP3.02
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole (CID 23000798) is 2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(C2CCCCC2S(=O)(=O)c2ccc(F)cc2)o1.
What is the InChIKey of 2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is XJQUPRNFXHCQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S/c1-10-17-18-15(21-10)13-4-2-3-5-14(13)22(19,20)12-8-6-11(16)7-9-12/h6-9,13-14H,2-5H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole?
2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 324.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)sulfonylcyclohexyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 23000798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).