2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-oxadiazole

C18H14Cl2N2O3S — CID 46180487

IUPAC2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Cc1nnc(/C=C/c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H14Cl2N2O3S/c19-15-6-1-13(2-7-15)5-10-17-21-22-18(25-17)12-26(23,24)11-14-3-8-16(20)9-4-14/h1-10H,11-12H2/b10-5+
InChIKeyALSLBXANEWPAHQ-BJMVGYQFSA-N
MW409.29 g/mol
LogP4.66
Rot. Bonds6

About 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-oxadiazole

2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-oxadiazole (PubChem CID 46180487) has the molecular formula C18H14Cl2N2O3S and a molecular weight of 409.29 g/mol. Its IUPAC name is 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-oxadiazole
PubChem CID46180487
Molecular FormulaC18H14Cl2N2O3S
Molecular Weight409.29 g/mol
Exact Mass408.01
IUPAC Name2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Cc1nnc(/C=C/c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H14Cl2N2O3S/c19-15-6-1-13(2-7-15)5-10-17-21-22-18(25-17)12-26(23,24)11-14-3-8-16(20)9-4-14/h1-10H,11-12H2/b10-5+
InChIKeyALSLBXANEWPAHQ-BJMVGYQFSA-N
XLogP4.66
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-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-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-oxadiazole (CID 46180487) is 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-oxadiazole is O=S(=O)(Cc1ccc(Cl)cc1)Cc1nnc(/C=C/c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-oxadiazole?
The InChIKey is ALSLBXANEWPAHQ-BJMVGYQFSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3S/c19-15-6-1-13(2-7-15)5-10-17-21-22-18(25-17)12-26(23,24)11-14-3-8-16(20)9-4-14/h1-10H,11-12H2/b10-5+.
What are the key properties of 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-oxadiazole?
2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-oxadiazole has a molecular weight of 409.29 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(4-chlorophenyl)methylsulfonylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 46180487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).