5-[(E)-2-(benzenesulfinyl)ethenyl]-2,1,3-benzoxadiazole

C14H10N2O2S — CID 44614578

IUPAC5-[(E)-2-(benzenesulfinyl)ethenyl]-2,1,3-benzoxadiazole
SMILESO=S(/C=C/c1ccc2nonc2c1)c1ccccc1
InChIInChI=1S/C14H10N2O2S/c17-19(12-4-2-1-3-5-12)9-8-11-6-7-13-14(10-11)16-18-15-13/h1-10H/b9-8+
InChIKeyQUFFJINGFQVSGN-CMDGGOBGSA-N
MW270.31 g/mol
LogP3.00
Rot. Bonds3

About 5-[(E)-2-(benzenesulfinyl)ethenyl]-2,1,3-benzoxadiazole

5-[(E)-2-(benzenesulfinyl)ethenyl]-2,1,3-benzoxadiazole (PubChem CID 44614578) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-[(E)-2-(benzenesulfinyl)ethenyl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-[(E)-2-(benzenesulfinyl)ethenyl]-2,1,3-benzoxadiazole
PubChem CID44614578
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name5-[(E)-2-(benzenesulfinyl)ethenyl]-2,1,3-benzoxadiazole
SMILESO=S(/C=C/c1ccc2nonc2c1)c1ccccc1
InChIInChI=1S/C14H10N2O2S/c17-19(12-4-2-1-3-5-12)9-8-11-6-7-13-14(10-11)16-18-15-13/h1-10H/b9-8+
InChIKeyQUFFJINGFQVSGN-CMDGGOBGSA-N
XLogP3.00
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(benzenesulfinyl)ethenyl]-2,1,3-benzoxadiazole?
The IUPAC name of 5-[(E)-2-(benzenesulfinyl)ethenyl]-2,1,3-benzoxadiazole (CID 44614578) is 5-[(E)-2-(benzenesulfinyl)ethenyl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-[(E)-2-(benzenesulfinyl)ethenyl]-2,1,3-benzoxadiazole?
The canonical SMILES for 5-[(E)-2-(benzenesulfinyl)ethenyl]-2,1,3-benzoxadiazole is O=S(/C=C/c1ccc2nonc2c1)c1ccccc1.
What is the InChIKey of 5-[(E)-2-(benzenesulfinyl)ethenyl]-2,1,3-benzoxadiazole?
The InChIKey is QUFFJINGFQVSGN-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-19(12-4-2-1-3-5-12)9-8-11-6-7-13-14(10-11)16-18-15-13/h1-10H/b9-8+.
What are the key properties of 5-[(E)-2-(benzenesulfinyl)ethenyl]-2,1,3-benzoxadiazole?
5-[(E)-2-(benzenesulfinyl)ethenyl]-2,1,3-benzoxadiazole has a molecular weight of 270.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(benzenesulfinyl)ethenyl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 44614578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).