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

C10H9FN2O3S — CID 62814824

IUPAC2-[(2-fluorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CS(=O)(=O)c2ccccc2F)o1
InChIInChI=1S/C10H9FN2O3S/c1-7-12-13-10(16-7)6-17(14,15)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3
InChIKeySFAVPPXVLGRTKS-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.49
Rot. Bonds3

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

2-[(2-fluorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 62814824) has the molecular formula C10H9FN2O3S and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID62814824
Molecular FormulaC10H9FN2O3S
Molecular Weight256.26 g/mol
Exact Mass256.03
IUPAC Name2-[(2-fluorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CS(=O)(=O)c2ccccc2F)o1
InChIInChI=1S/C10H9FN2O3S/c1-7-12-13-10(16-7)6-17(14,15)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3
InChIKeySFAVPPXVLGRTKS-UHFFFAOYSA-N
XLogP1.49
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2-fluorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole (CID 62814824) is 2-[(2-fluorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(CS(=O)(=O)c2ccccc2F)o1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is SFAVPPXVLGRTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3S/c1-7-12-13-10(16-7)6-17(14,15)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole?
2-[(2-fluorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 256.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 62814824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).