2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine

C14H13NO3S — CID 155524592

IUPAC2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine
SMILESCOc1ccccc1/C=C/S(=O)(=O)c1ccccn1
InChIInChI=1S/C14H13NO3S/c1-18-13-7-3-2-6-12(13)9-11-19(16,17)14-8-4-5-10-15-14/h2-11H,1H3/b11-9+
InChIKeyJUIUDIWNXKNDBG-PKNBQFBNSA-N
MW275.33 g/mol
LogP2.53
Rot. Bonds4

About 2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine

2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine (PubChem CID 155524592) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine.

Molecular Properties

Compound Name2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine
PubChem CID155524592
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine
SMILESCOc1ccccc1/C=C/S(=O)(=O)c1ccccn1
InChIInChI=1S/C14H13NO3S/c1-18-13-7-3-2-6-12(13)9-11-19(16,17)14-8-4-5-10-15-14/h2-11H,1H3/b11-9+
InChIKeyJUIUDIWNXKNDBG-PKNBQFBNSA-N
XLogP2.53
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine?
The IUPAC name of 2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine (CID 155524592) is 2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine.
What is the SMILES notation for 2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine?
The canonical SMILES for 2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine is COc1ccccc1/C=C/S(=O)(=O)c1ccccn1.
What is the InChIKey of 2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine?
The InChIKey is JUIUDIWNXKNDBG-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-18-13-7-3-2-6-12(13)9-11-19(16,17)14-8-4-5-10-15-14/h2-11H,1H3/b11-9+.
What are the key properties of 2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine?
2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine has a molecular weight of 275.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine is sourced from PubChem (CID 155524592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).