3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine

C13H10ClNO2S — CID 162658393

IUPAC3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1cccnc1)c1ccccc1Cl
InChIInChI=1S/C13H10ClNO2S/c14-12-5-1-2-6-13(12)18(16,17)9-7-11-4-3-8-15-10-11/h1-10H/b9-7+
InChIKeyCZDJQGLKHQSGJF-VQHVLOKHSA-N
MW279.75 g/mol
LogP3.18
Rot. Bonds3

About 3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine

3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine (PubChem CID 162658393) has the molecular formula C13H10ClNO2S and a molecular weight of 279.75 g/mol. Its IUPAC name is 3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine
PubChem CID162658393
Molecular FormulaC13H10ClNO2S
Molecular Weight279.75 g/mol
Exact Mass279.01
IUPAC Name3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1cccnc1)c1ccccc1Cl
InChIInChI=1S/C13H10ClNO2S/c14-12-5-1-2-6-13(12)18(16,17)9-7-11-4-3-8-15-10-11/h1-10H/b9-7+
InChIKeyCZDJQGLKHQSGJF-VQHVLOKHSA-N
XLogP3.18
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine
CID 11817425
(E)-2-pyridin-3-ylethenesulfonamide
CID 14912437
2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine
CID 162666040
3-[2-(2-chlorophenyl)ethenyl]pyridine
CID 70452077
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861
4-bromo-2-chlorobenzamide;(E)-2-pyridin-3-ylethenesulfonic acid
CID 87641690
4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide
CID 68978371
[(E)-2-pyridin-3-ylethenyl] thiohypochlorite
CID 142599009
(E)-3-(2-chlorophenyl)sulfonylprop-2-enoic acid
CID 106435641
bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol
CID 159880051

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine?
The IUPAC name of 3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine (CID 162658393) is 3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine is O=S(=O)(/C=C/c1cccnc1)c1ccccc1Cl.
What is the InChIKey of 3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine?
The InChIKey is CZDJQGLKHQSGJF-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H10ClNO2S/c14-12-5-1-2-6-13(12)18(16,17)9-7-11-4-3-8-15-10-11/h1-10H/b9-7+.
What are the key properties of 3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine?
3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine has a molecular weight of 279.75 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 162658393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).