2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine

C19H14FNOS — CID 53359597

IUPAC2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine
SMILESO=S(c1ccccn1)c1ccccc1/C=C/c1ccc(F)cc1
InChIInChI=1S/C19H14FNOS/c20-17-12-9-15(10-13-17)8-11-16-5-1-2-6-18(16)23(22)19-7-3-4-14-21-19/h1-14H/b11-8+
InChIKeyWBGSCGGZOJPLJC-DHZHZOJOSA-N
MW323.39 g/mol
LogP4.56
Rot. Bonds4

About 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine

2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine (PubChem CID 53359597) has the molecular formula C19H14FNOS and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine
PubChem CID53359597
Molecular FormulaC19H14FNOS
Molecular Weight323.39 g/mol
Exact Mass323.08
IUPAC Name2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine
SMILESO=S(c1ccccn1)c1ccccc1/C=C/c1ccc(F)cc1
InChIInChI=1S/C19H14FNOS/c20-17-12-9-15(10-13-17)8-11-16-5-1-2-6-18(16)23(22)19-7-3-4-14-21-19/h1-14H/b11-8+
InChIKeyWBGSCGGZOJPLJC-DHZHZOJOSA-N
XLogP4.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine?
The IUPAC name of 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine (CID 53359597) is 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine.
What is the SMILES notation for 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine?
The canonical SMILES for 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine is O=S(c1ccccn1)c1ccccc1/C=C/c1ccc(F)cc1.
What is the InChIKey of 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine?
The InChIKey is WBGSCGGZOJPLJC-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H14FNOS/c20-17-12-9-15(10-13-17)8-11-16-5-1-2-6-18(16)23(22)19-7-3-4-14-21-19/h1-14H/b11-8+.
What are the key properties of 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine?
2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine has a molecular weight of 323.39 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfinylpyridine is sourced from PubChem (CID 53359597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).