2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylpyridine-3-carbaldehyde

C22H14FNO3S — CID 86616735

IUPAC2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylpyridine-3-carbaldehyde
SMILESO=Cc1cccnc1S(=O)(=O)c1ccc2cc(-c3ccc(F)cc3)ccc2c1
InChIInChI=1S/C22H14FNO3S/c23-20-8-5-15(6-9-20)16-3-4-18-13-21(10-7-17(18)12-16)28(26,27)22-19(14-25)2-1-11-24-22/h1-14H
InChIKeyYBJBDYFDZUVKDP-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.69
Rot. Bonds4

About 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylpyridine-3-carbaldehyde

2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylpyridine-3-carbaldehyde (PubChem CID 86616735) has the molecular formula C22H14FNO3S and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylpyridine-3-carbaldehyde
PubChem CID86616735
Molecular FormulaC22H14FNO3S
Molecular Weight391.42 g/mol
Exact Mass391.07
IUPAC Name2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylpyridine-3-carbaldehyde
SMILESO=Cc1cccnc1S(=O)(=O)c1ccc2cc(-c3ccc(F)cc3)ccc2c1
InChIInChI=1S/C22H14FNO3S/c23-20-8-5-15(6-9-20)16-3-4-18-13-21(10-7-17(18)12-16)28(26,27)22-19(14-25)2-1-11-24-22/h1-14H
InChIKeyYBJBDYFDZUVKDP-UHFFFAOYSA-N
XLogP4.69
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylpyridine-3-carbaldehyde?
The IUPAC name of 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylpyridine-3-carbaldehyde (CID 86616735) is 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylpyridine-3-carbaldehyde?
The canonical SMILES for 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylpyridine-3-carbaldehyde is O=Cc1cccnc1S(=O)(=O)c1ccc2cc(-c3ccc(F)cc3)ccc2c1.
What is the InChIKey of 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylpyridine-3-carbaldehyde?
The InChIKey is YBJBDYFDZUVKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FNO3S/c23-20-8-5-15(6-9-20)16-3-4-18-13-21(10-7-17(18)12-16)28(26,27)22-19(14-25)2-1-11-24-22/h1-14H.
What are the key properties of 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylpyridine-3-carbaldehyde?
2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylpyridine-3-carbaldehyde has a molecular weight of 391.42 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylpyridine-3-carbaldehyde is sourced from PubChem (CID 86616735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).