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

C15H10ClFN2O3S — CID 30849848

IUPAC3-(3-chlorophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(-c2cccc(Cl)c2)no1)c1ccc(F)cc1
InChIInChI=1S/C15H10ClFN2O3S/c16-11-3-1-2-10(8-11)15-18-14(22-19-15)9-23(20,21)13-6-4-12(17)5-7-13/h1-8H,9H2
InChIKeyOSNJNKSRUKKLCP-UHFFFAOYSA-N
MW352.77 g/mol
LogP3.50
Rot. Bonds4

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

3-(3-chlorophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole (PubChem CID 30849848) has the molecular formula C15H10ClFN2O3S and a molecular weight of 352.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
PubChem CID30849848
Molecular FormulaC15H10ClFN2O3S
Molecular Weight352.77 g/mol
Exact Mass352.01
IUPAC Name3-(3-chlorophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(-c2cccc(Cl)c2)no1)c1ccc(F)cc1
InChIInChI=1S/C15H10ClFN2O3S/c16-11-3-1-2-10(8-11)15-18-14(22-19-15)9-23(20,21)13-6-4-12(17)5-7-13/h1-8H,9H2
InChIKeyOSNJNKSRUKKLCP-UHFFFAOYSA-N
XLogP3.50
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-chlorophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-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 3-(3-chlorophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole (CID 30849848) is 3-(3-chlorophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole is O=S(=O)(Cc1nc(-c2cccc(Cl)c2)no1)c1ccc(F)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The InChIKey is OSNJNKSRUKKLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O3S/c16-11-3-1-2-10(8-11)15-18-14(22-19-15)9-23(20,21)13-6-4-12(17)5-7-13/h1-8H,9H2.
What are the key properties of 3-(3-chlorophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole has a molecular weight of 352.77 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 30849848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).