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

C10H8F2N2O3S — CID 47218602

IUPAC3-[(3,4-difluorophenyl)sulfonylmethyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CS(=O)(=O)c2ccc(F)c(F)c2)no1
InChIInChI=1S/C10H8F2N2O3S/c1-6-13-10(14-17-6)5-18(15,16)7-2-3-8(11)9(12)4-7/h2-4H,5H2,1H3
InChIKeyJRSIGDVHYXJAID-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.63
Rot. Bonds3

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

3-[(3,4-difluorophenyl)sulfonylmethyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 47218602) has the molecular formula C10H8F2N2O3S and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylmethyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylmethyl]-5-methyl-1,2,4-oxadiazole
PubChem CID47218602
Molecular FormulaC10H8F2N2O3S
Molecular Weight274.25 g/mol
Exact Mass274.02
IUPAC Name3-[(3,4-difluorophenyl)sulfonylmethyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CS(=O)(=O)c2ccc(F)c(F)c2)no1
InChIInChI=1S/C10H8F2N2O3S/c1-6-13-10(14-17-6)5-18(15,16)7-2-3-8(11)9(12)4-7/h2-4H,5H2,1H3
InChIKeyJRSIGDVHYXJAID-UHFFFAOYSA-N
XLogP1.63
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylmethyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylmethyl]-5-methyl-1,2,4-oxadiazole (CID 47218602) is 3-[(3,4-difluorophenyl)sulfonylmethyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylmethyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylmethyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(CS(=O)(=O)c2ccc(F)c(F)c2)no1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylmethyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is JRSIGDVHYXJAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O3S/c1-6-13-10(14-17-6)5-18(15,16)7-2-3-8(11)9(12)4-7/h2-4H,5H2,1H3.
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylmethyl]-5-methyl-1,2,4-oxadiazole?
3-[(3,4-difluorophenyl)sulfonylmethyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 274.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylmethyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 47218602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).