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

C13H9ClFNO2S — CID 151084631

IUPAC3-chloro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1ncccc1Cl)c1cccc(F)c1
InChIInChI=1S/C13H9ClFNO2S/c14-12-5-2-7-16-13(12)6-8-19(17,18)11-4-1-3-10(15)9-11/h1-9H/b8-6+
InChIKeyMKVTZVWJCGSAHV-SOFGYWHQSA-N
MW297.74 g/mol
LogP3.32
Rot. Bonds3

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

3-chloro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine (PubChem CID 151084631) has the molecular formula C13H9ClFNO2S and a molecular weight of 297.74 g/mol. Its IUPAC name is 3-chloro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine
PubChem CID151084631
Molecular FormulaC13H9ClFNO2S
Molecular Weight297.74 g/mol
Exact Mass297.00
IUPAC Name3-chloro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1ncccc1Cl)c1cccc(F)c1
InChIInChI=1S/C13H9ClFNO2S/c14-12-5-2-7-16-13(12)6-8-19(17,18)11-4-1-3-10(15)9-11/h1-9H/b8-6+
InChIKeyMKVTZVWJCGSAHV-SOFGYWHQSA-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
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
3-chloro-2-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine
CID 146380952

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine?
The IUPAC name of 3-chloro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine (CID 151084631) is 3-chloro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 3-chloro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 3-chloro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine is O=S(=O)(/C=C/c1ncccc1Cl)c1cccc(F)c1.
What is the InChIKey of 3-chloro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine?
The InChIKey is MKVTZVWJCGSAHV-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H9ClFNO2S/c14-12-5-2-7-16-13(12)6-8-19(17,18)11-4-1-3-10(15)9-11/h1-9H/b8-6+.
What are the key properties of 3-chloro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine?
3-chloro-2-[(E)-2-(3-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 3-chloro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 151084631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).