3-[4-(benzenesulfinyl)naphthalen-2-yl]pyridine

C21H15NOS — CID 118720486

IUPAC3-[4-(benzenesulfinyl)naphthalen-2-yl]pyridine
SMILESO=S(c1ccccc1)c1cc(-c2cccnc2)cc2ccccc12
InChIInChI=1S/C21H15NOS/c23-24(19-9-2-1-3-10-19)21-14-18(17-8-6-12-22-15-17)13-16-7-4-5-11-20(16)21/h1-15H
InChIKeyAODDDEBCJBZKFJ-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.07
Rot. Bonds3

About 3-[4-(benzenesulfinyl)naphthalen-2-yl]pyridine

3-[4-(benzenesulfinyl)naphthalen-2-yl]pyridine (PubChem CID 118720486) has the molecular formula C21H15NOS and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-[4-(benzenesulfinyl)naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name3-[4-(benzenesulfinyl)naphthalen-2-yl]pyridine
PubChem CID118720486
Molecular FormulaC21H15NOS
Molecular Weight329.42 g/mol
Exact Mass329.09
IUPAC Name3-[4-(benzenesulfinyl)naphthalen-2-yl]pyridine
SMILESO=S(c1ccccc1)c1cc(-c2cccnc2)cc2ccccc12
InChIInChI=1S/C21H15NOS/c23-24(19-9-2-1-3-10-19)21-14-18(17-8-6-12-22-15-17)13-16-7-4-5-11-20(16)21/h1-15H
InChIKeyAODDDEBCJBZKFJ-UHFFFAOYSA-N
XLogP5.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzenesulfinyl)naphthalen-2-yl]pyridine?
The IUPAC name of 3-[4-(benzenesulfinyl)naphthalen-2-yl]pyridine (CID 118720486) is 3-[4-(benzenesulfinyl)naphthalen-2-yl]pyridine.
What is the SMILES notation for 3-[4-(benzenesulfinyl)naphthalen-2-yl]pyridine?
The canonical SMILES for 3-[4-(benzenesulfinyl)naphthalen-2-yl]pyridine is O=S(c1ccccc1)c1cc(-c2cccnc2)cc2ccccc12.
What is the InChIKey of 3-[4-(benzenesulfinyl)naphthalen-2-yl]pyridine?
The InChIKey is AODDDEBCJBZKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NOS/c23-24(19-9-2-1-3-10-19)21-14-18(17-8-6-12-22-15-17)13-16-7-4-5-11-20(16)21/h1-15H.
What are the key properties of 3-[4-(benzenesulfinyl)naphthalen-2-yl]pyridine?
3-[4-(benzenesulfinyl)naphthalen-2-yl]pyridine has a molecular weight of 329.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzenesulfinyl)naphthalen-2-yl]pyridine is sourced from PubChem (CID 118720486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).