5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-fluorophenyl)sulfonylpyridine

C19H13F2NO2S — CID 21099448

IUPAC5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-fluorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(/C=C/c2ccc(F)cc2)cn1
InChIInChI=1S/C19H13F2NO2S/c20-16-6-3-14(4-7-16)1-2-15-5-12-19(22-13-15)25(23,24)18-10-8-17(21)9-11-18/h1-13H/b2-1+
InChIKeyBPSGUTHNLYFYMX-OWOJBTEDSA-N
MW357.38 g/mol
LogP4.36
Rot. Bonds4

About 5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-fluorophenyl)sulfonylpyridine

5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-fluorophenyl)sulfonylpyridine (PubChem CID 21099448) has the molecular formula C19H13F2NO2S and a molecular weight of 357.38 g/mol. Its IUPAC name is 5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-fluorophenyl)sulfonylpyridine.

Molecular Properties

Compound Name5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-fluorophenyl)sulfonylpyridine
PubChem CID21099448
Molecular FormulaC19H13F2NO2S
Molecular Weight357.38 g/mol
Exact Mass357.06
IUPAC Name5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-fluorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(/C=C/c2ccc(F)cc2)cn1
InChIInChI=1S/C19H13F2NO2S/c20-16-6-3-14(4-7-16)1-2-15-5-12-19(22-13-15)25(23,24)18-10-8-17(21)9-11-18/h1-13H/b2-1+
InChIKeyBPSGUTHNLYFYMX-OWOJBTEDSA-N
XLogP4.36
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-fluorophenyl)sulfonylpyridine?
The IUPAC name of 5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-fluorophenyl)sulfonylpyridine (CID 21099448) is 5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-fluorophenyl)sulfonylpyridine.
What is the SMILES notation for 5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-fluorophenyl)sulfonylpyridine?
The canonical SMILES for 5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-fluorophenyl)sulfonylpyridine is O=S(=O)(c1ccc(F)cc1)c1ccc(/C=C/c2ccc(F)cc2)cn1.
What is the InChIKey of 5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-fluorophenyl)sulfonylpyridine?
The InChIKey is BPSGUTHNLYFYMX-OWOJBTEDSA-N. The full InChI is InChI=1S/C19H13F2NO2S/c20-16-6-3-14(4-7-16)1-2-15-5-12-19(22-13-15)25(23,24)18-10-8-17(21)9-11-18/h1-13H/b2-1+.
What are the key properties of 5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-fluorophenyl)sulfonylpyridine?
5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-fluorophenyl)sulfonylpyridine has a molecular weight of 357.38 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(4-fluorophenyl)sulfonylpyridine is sourced from PubChem (CID 21099448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).