2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluoropyridine

C13H9ClFNO2S — CID 151371576

IUPAC2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluoropyridine
SMILESO=S(=O)(/C=C/c1ncccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClFNO2S/c14-10-3-5-11(6-4-10)19(17,18)9-7-13-12(15)2-1-8-16-13/h1-9H/b9-7+
InChIKeyOQOCRFIHFOOAJN-VQHVLOKHSA-N
MW297.74 g/mol
LogP3.32
Rot. Bonds3

About 2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluoropyridine

2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluoropyridine (PubChem CID 151371576) has the molecular formula C13H9ClFNO2S and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluoropyridine.

Molecular Properties

Compound Name2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluoropyridine
PubChem CID151371576
Molecular FormulaC13H9ClFNO2S
Molecular Weight297.74 g/mol
Exact Mass297.00
IUPAC Name2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluoropyridine
SMILESO=S(=O)(/C=C/c1ncccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClFNO2S/c14-10-3-5-11(6-4-10)19(17,18)9-7-13-12(15)2-1-8-16-13/h1-9H/b9-7+
InChIKeyOQOCRFIHFOOAJN-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

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Related Compounds

Pyridine, 4-(2-(4-chlorophenylsulfonyl)ethyl)-, hydrochloride
CID 3050824
Propennitrile, 3-(3-chloro-4-fluorophenylamino)-2-(2-pyridylsulfonyl)-
CID 2819256
2-{2-[(4-Fluorophenyl)sulfanyl]ethyl}pyridine
CID 761521
6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2433221
Phenyl 2-pyridylmethyl sulfone
CID 3321062
3-Chloro-2-[(phenylsulfonyl)methyl]-5-(trifluoromethyl)pyridine
CID 1475890
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
[(4-Chlorophenyl)sulfonyl]-4-pyridylamine
CID 674932
2-((4-Chlorophenyl)sulfonyl)pyridine
CID 699459
3-chloro-2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine
CID 146380783
3-fluoro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine
CID 146380834
3-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine
CID 146380933

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluoropyridine?
The IUPAC name of 2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluoropyridine (CID 151371576) is 2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluoropyridine.
What is the SMILES notation for 2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluoropyridine?
The canonical SMILES for 2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluoropyridine is O=S(=O)(/C=C/c1ncccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluoropyridine?
The InChIKey is OQOCRFIHFOOAJN-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H9ClFNO2S/c14-10-3-5-11(6-4-10)19(17,18)9-7-13-12(15)2-1-8-16-13/h1-9H/b9-7+.
What are the key properties of 2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluoropyridine?
2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluoropyridine 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-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-3-fluoropyridine is sourced from PubChem (CID 151371576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).