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

C17H13ClN2O3S — CID 46180411

IUPAC2-[(4-chlorophenyl)sulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1nnc(/C=C/c2ccccc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O3S/c18-14-7-9-15(10-8-14)24(21,22)12-17-20-19-16(23-17)11-6-13-4-2-1-3-5-13/h1-11H,12H2/b11-6+
InChIKeyJCDORGBTQGNGKW-IZZDOVSWSA-N
MW360.82 g/mol
LogP3.87
Rot. Bonds5

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

2-[(4-chlorophenyl)sulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole (PubChem CID 46180411) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
PubChem CID46180411
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC Name2-[(4-chlorophenyl)sulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1nnc(/C=C/c2ccccc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O3S/c18-14-7-9-15(10-8-14)24(21,22)12-17-20-19-16(23-17)11-6-13-4-2-1-3-5-13/h1-11H,12H2/b11-6+
InChIKeyJCDORGBTQGNGKW-IZZDOVSWSA-N
XLogP3.87
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-chlorophenyl)sulfonylmethyl]-5-[(E)-2-phenylethenyl]-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-[(4-chlorophenyl)sulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole (CID 46180411) is 2-[(4-chlorophenyl)sulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole is O=S(=O)(Cc1nnc(/C=C/c2ccccc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole?
The InChIKey is JCDORGBTQGNGKW-IZZDOVSWSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c18-14-7-9-15(10-8-14)24(21,22)12-17-20-19-16(23-17)11-6-13-4-2-1-3-5-13/h1-11H,12H2/b11-6+.
What are the key properties of 2-[(4-chlorophenyl)sulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole?
2-[(4-chlorophenyl)sulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole has a molecular weight of 360.82 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylmethyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 46180411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).