2-[2-(4-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonylpyridine

C19H15F2NO2S — CID 21099413

IUPAC2-[2-(4-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(CCc2ccc(F)cc2)nc1
InChIInChI=1S/C19H15F2NO2S/c20-15-4-1-14(2-5-15)3-8-17-9-12-19(13-22-17)25(23,24)18-10-6-16(21)7-11-18/h1-2,4-7,9-13H,3,8H2
InChIKeySTAZSACUQPAKDP-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.98
Rot. Bonds5

About 2-[2-(4-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonylpyridine

2-[2-(4-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonylpyridine (PubChem CID 21099413) has the molecular formula C19H15F2NO2S and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonylpyridine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonylpyridine
PubChem CID21099413
Molecular FormulaC19H15F2NO2S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name2-[2-(4-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(CCc2ccc(F)cc2)nc1
InChIInChI=1S/C19H15F2NO2S/c20-15-4-1-14(2-5-15)3-8-17-9-12-19(13-22-17)25(23,24)18-10-6-16(21)7-11-18/h1-2,4-7,9-13H,3,8H2
InChIKeySTAZSACUQPAKDP-UHFFFAOYSA-N
XLogP3.98
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonylpyridine?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonylpyridine (CID 21099413) is 2-[2-(4-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonylpyridine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonylpyridine?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonylpyridine is O=S(=O)(c1ccc(F)cc1)c1ccc(CCc2ccc(F)cc2)nc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonylpyridine?
The InChIKey is STAZSACUQPAKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2S/c20-15-4-1-14(2-5-15)3-8-17-9-12-19(13-22-17)25(23,24)18-10-6-16(21)7-11-18/h1-2,4-7,9-13H,3,8H2.
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonylpyridine?
2-[2-(4-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonylpyridine has a molecular weight of 359.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonylpyridine is sourced from PubChem (CID 21099413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).