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

C19H14Cl2N2O5S2 — CID 138377356

IUPAC2-[2-(4-chlorophenyl)ethenyl]-5-[2-(4-chlorophenyl)sulfonylethenylsulfonylmethyl]-1,3,4-oxadiazole
SMILESO=S(=O)(C=CS(=O)(=O)c1ccc(Cl)cc1)Cc1nnc(C=Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C19H14Cl2N2O5S2/c20-15-4-1-14(2-5-15)3-10-18-22-23-19(28-18)13-29(24,25)11-12-30(26,27)17-8-6-16(21)7-9-17/h1-12H,13H2
InChIKeyZEQDBTDVWGBAJH-UHFFFAOYSA-N
MW485.37 g/mol
LogP4.41
Rot. Bonds7

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

2-[2-(4-chlorophenyl)ethenyl]-5-[2-(4-chlorophenyl)sulfonylethenylsulfonylmethyl]-1,3,4-oxadiazole (PubChem CID 138377356) has the molecular formula C19H14Cl2N2O5S2 and a molecular weight of 485.37 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethenyl]-5-[2-(4-chlorophenyl)sulfonylethenylsulfonylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethenyl]-5-[2-(4-chlorophenyl)sulfonylethenylsulfonylmethyl]-1,3,4-oxadiazole
PubChem CID138377356
Molecular FormulaC19H14Cl2N2O5S2
Molecular Weight485.37 g/mol
Exact Mass483.97
IUPAC Name2-[2-(4-chlorophenyl)ethenyl]-5-[2-(4-chlorophenyl)sulfonylethenylsulfonylmethyl]-1,3,4-oxadiazole
SMILESO=S(=O)(C=CS(=O)(=O)c1ccc(Cl)cc1)Cc1nnc(C=Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C19H14Cl2N2O5S2/c20-15-4-1-14(2-5-15)3-10-18-22-23-19(28-18)13-29(24,25)11-12-30(26,27)17-8-6-16(21)7-9-17/h1-12H,13H2
InChIKeyZEQDBTDVWGBAJH-UHFFFAOYSA-N
XLogP4.41
TPSA107.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-(4-chlorophenyl)ethenyl]-5-[2-(4-chlorophenyl)sulfonylethenylsulfonylmethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

4-chlorobenzyl 5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl sulfide
CID 5913783
2-[(2,4-dichlorobenzyl)sulfanyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
CID 5937952
2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 141479191
2-[(4-Chlorophenyl)sulfonylmethyl]-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 141517469
2-[(4-Chlorophenyl)methylsulfanyl]-5-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 141517475
2-[(4-Chlorophenyl)sulfonylmethyl]-5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazole
CID 141519778
2-(Phenylsulfonylethenesulfonylmethyl)-5-styryl-1,3,4-oxadiazole
CID 138377294
2-(4-Chlorobenzoylethenesulfonylmethyl)-5-(4-chlorostyryl)-1,3,4-oxadiazole
CID 138377321
2-(4-Methylphenylsulfonylethenesulfonylmethyl)-5-(4-methylstyryl)-1,3,4-oxadiazole
CID 138377355
2-benzylsulfanyl-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,4-oxadiazole
CID 6178693
2-[(4-Chlorophenyl)methylsulfanyl]-5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 141463337
2-(4-chlorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
CID 141479190

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-5-[2-(4-chlorophenyl)sulfonylethenylsulfonylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-5-[2-(4-chlorophenyl)sulfonylethenylsulfonylmethyl]-1,3,4-oxadiazole (CID 138377356) is 2-[2-(4-chlorophenyl)ethenyl]-5-[2-(4-chlorophenyl)sulfonylethenylsulfonylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethenyl]-5-[2-(4-chlorophenyl)sulfonylethenylsulfonylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethenyl]-5-[2-(4-chlorophenyl)sulfonylethenylsulfonylmethyl]-1,3,4-oxadiazole is O=S(=O)(C=CS(=O)(=O)c1ccc(Cl)cc1)Cc1nnc(C=Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethenyl]-5-[2-(4-chlorophenyl)sulfonylethenylsulfonylmethyl]-1,3,4-oxadiazole?
The InChIKey is ZEQDBTDVWGBAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O5S2/c20-15-4-1-14(2-5-15)3-10-18-22-23-19(28-18)13-29(24,25)11-12-30(26,27)17-8-6-16(21)7-9-17/h1-12H,13H2.
What are the key properties of 2-[2-(4-chlorophenyl)ethenyl]-5-[2-(4-chlorophenyl)sulfonylethenylsulfonylmethyl]-1,3,4-oxadiazole?
2-[2-(4-chlorophenyl)ethenyl]-5-[2-(4-chlorophenyl)sulfonylethenylsulfonylmethyl]-1,3,4-oxadiazole has a molecular weight of 485.37 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethenyl]-5-[2-(4-chlorophenyl)sulfonylethenylsulfonylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 138377356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).