2-chloro-3-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine

C13H9ClFNO2S — CID 162658963

IUPAC2-chloro-3-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1cccnc1Cl)c1ccccc1F
InChIInChI=1S/C13H9ClFNO2S/c14-13-10(4-3-8-16-13)7-9-19(17,18)12-6-2-1-5-11(12)15/h1-9H/b9-7+
InChIKeyYDORFYJRSSHGOC-VQHVLOKHSA-N
MW297.74 g/mol
LogP3.32
Rot. Bonds3

About 2-chloro-3-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine

2-chloro-3-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine (PubChem CID 162658963) has the molecular formula C13H9ClFNO2S and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-chloro-3-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine
PubChem CID162658963
Molecular FormulaC13H9ClFNO2S
Molecular Weight297.74 g/mol
Exact Mass297.00
IUPAC Name2-chloro-3-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1cccnc1Cl)c1ccccc1F
InChIInChI=1S/C13H9ClFNO2S/c14-13-10(4-3-8-16-13)7-9-19(17,18)12-6-2-1-5-11(12)15/h1-9H/b9-7+
InChIKeyYDORFYJRSSHGOC-VQHVLOKHSA-N
XLogP3.32
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Pyridine, 4-[2-[(4-methylphenyl)sulfonyl]ethyl]-
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4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
Phenyl 2-pyridylmethyl sulfone
CID 3321062
(E)-2-(4-fluorostyryl)-5-(phenylsulfonyl)pyridine
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3-Chloro-2-[(phenylsulfonyl)methyl]-5-(trifluoromethyl)pyridine
CID 1475890
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 2738376
2-{[2-(Phenylsulfonyl)ethyl]thio}-5-(trifluoromethyl)pyridine
CID 2820396
3-(2,4-Difluorophenyl)-2-(2-pyridylsulfonyl)acrylonitrile
CID 5703047
2-((4-Chlorophenyl)sulfonyl)pyridine
CID 699459
3-Chloro-2-(phenylsulfonyl)-5-(trifluoromethyl)pyridine
CID 1479266

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine?
The IUPAC name of 2-chloro-3-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine (CID 162658963) is 2-chloro-3-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 2-chloro-3-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 2-chloro-3-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine is O=S(=O)(/C=C/c1cccnc1Cl)c1ccccc1F.
What is the InChIKey of 2-chloro-3-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine?
The InChIKey is YDORFYJRSSHGOC-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H9ClFNO2S/c14-13-10(4-3-8-16-13)7-9-19(17,18)12-6-2-1-5-11(12)15/h1-9H/b9-7+.
What are the key properties of 2-chloro-3-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine?
2-chloro-3-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine has a molecular weight of 297.74 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 162658963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).