3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine

C14H12FNO3S — CID 155556547

IUPAC3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1cccc(S(=O)(=O)/C=C/c2ncccc2F)c1
InChIInChI=1S/C14H12FNO3S/c1-19-11-4-2-5-12(10-11)20(17,18)9-7-14-13(15)6-3-8-16-14/h2-10H,1H3/b9-7+
InChIKeyXOHIHJJWRWTZDA-VQHVLOKHSA-N
MW293.32 g/mol
LogP2.67
Rot. Bonds4

About 3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine

3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine (PubChem CID 155556547) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
PubChem CID155556547
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1cccc(S(=O)(=O)/C=C/c2ncccc2F)c1
InChIInChI=1S/C14H12FNO3S/c1-19-11-4-2-5-12(10-11)20(17,18)9-7-14-13(15)6-3-8-16-14/h2-10H,1H3/b9-7+
InChIKeyXOHIHJJWRWTZDA-VQHVLOKHSA-N
XLogP2.67
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The IUPAC name of 3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine (CID 155556547) is 3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine is COc1cccc(S(=O)(=O)/C=C/c2ncccc2F)c1.
What is the InChIKey of 3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
The InChIKey is XOHIHJJWRWTZDA-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-19-11-4-2-5-12(10-11)20(17,18)9-7-14-13(15)6-3-8-16-14/h2-10H,1H3/b9-7+.
What are the key properties of 3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine?
3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine has a molecular weight of 293.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 155556547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).