2-[2-(benzenesulfonyl)ethenylsulfonylmethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole

C19H16N2O5S2 — CID 138377294

IUPAC2-[2-(benzenesulfonyl)ethenylsulfonylmethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
SMILESO=S(=O)(C=CS(=O)(=O)c1ccccc1)Cc1nnc(C=Cc2ccccc2)o1
InChIInChI=1S/C19H16N2O5S2/c22-27(23,13-14-28(24,25)17-9-5-2-6-10-17)15-19-21-20-18(26-19)12-11-16-7-3-1-4-8-16/h1-14H,15H2
InChIKeyUCWDTLWFXHQPTA-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.10
Rot. Bonds7

About 2-[2-(benzenesulfonyl)ethenylsulfonylmethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole

2-[2-(benzenesulfonyl)ethenylsulfonylmethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole (PubChem CID 138377294) has the molecular formula C19H16N2O5S2 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)ethenylsulfonylmethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)ethenylsulfonylmethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
PubChem CID138377294
Molecular FormulaC19H16N2O5S2
Molecular Weight416.48 g/mol
Exact Mass416.05
IUPAC Name2-[2-(benzenesulfonyl)ethenylsulfonylmethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
SMILESO=S(=O)(C=CS(=O)(=O)c1ccccc1)Cc1nnc(C=Cc2ccccc2)o1
InChIInChI=1S/C19H16N2O5S2/c22-27(23,13-14-28(24,25)17-9-5-2-6-10-17)15-19-21-20-18(26-19)12-11-16-7-3-1-4-8-16/h1-14H,15H2
InChIKeyUCWDTLWFXHQPTA-UHFFFAOYSA-N
XLogP3.10
TPSA107.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-benzylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 141479176
2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-fluorophenyl)sulfanyl-1,3,4-oxadiazole
CID 141479181
2-(4-fluorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
CID 141479195
2-Benzylsulfanyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 141517466
2-[(4-Fluorophenyl)methylsulfanyl]-5-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 141517472
2-Benzylsulfonyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 141519776
2-Benzylsulfanyl-5-[2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 174853568
4-methylbenzyl 5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl sulfide
CID 5923850
2-(Benzoylethenesulfonylmethyl)-5-styryl-1,3,4-oxadiazole
CID 138377262
2-(4-Methylphenylsulfonylethenesulfonylmethyl)-5-(4-methylstyryl)-1,3,4-oxadiazole
CID 138377355
2-(4-Chlorophenylsulfonylethenesulfonylmethyl)-5-(4-chlorostyryl)-1,3,4-oxadiazole
CID 138377356
2-[(4-Fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3785907

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)ethenylsulfonylmethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(benzenesulfonyl)ethenylsulfonylmethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole (CID 138377294) is 2-[2-(benzenesulfonyl)ethenylsulfonylmethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(benzenesulfonyl)ethenylsulfonylmethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(benzenesulfonyl)ethenylsulfonylmethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole is O=S(=O)(C=CS(=O)(=O)c1ccccc1)Cc1nnc(C=Cc2ccccc2)o1.
What is the InChIKey of 2-[2-(benzenesulfonyl)ethenylsulfonylmethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The InChIKey is UCWDTLWFXHQPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S2/c22-27(23,13-14-28(24,25)17-9-5-2-6-10-17)15-19-21-20-18(26-19)12-11-16-7-3-1-4-8-16/h1-14H,15H2.
What are the key properties of 2-[2-(benzenesulfonyl)ethenylsulfonylmethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole?
2-[2-(benzenesulfonyl)ethenylsulfonylmethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole has a molecular weight of 416.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)ethenylsulfonylmethyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 138377294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).