3-[3-(benzenesulfonyl)naphthalen-2-yl]pyridine

C21H15NO2S — CID 118720487

IUPAC3-[3-(benzenesulfonyl)naphthalen-2-yl]pyridine
SMILESO=S(=O)(c1ccccc1)c1cc2ccccc2cc1-c1cccnc1
InChIInChI=1S/C21H15NO2S/c23-25(24,19-10-2-1-3-11-19)21-14-17-8-5-4-7-16(17)13-20(21)18-9-6-12-22-15-18/h1-15H
InChIKeyUWHURXPFDTZGHJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.73
Rot. Bonds3

About 3-[3-(benzenesulfonyl)naphthalen-2-yl]pyridine

3-[3-(benzenesulfonyl)naphthalen-2-yl]pyridine (PubChem CID 118720487) has the molecular formula C21H15NO2S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-[3-(benzenesulfonyl)naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name3-[3-(benzenesulfonyl)naphthalen-2-yl]pyridine
PubChem CID118720487
Molecular FormulaC21H15NO2S
Molecular Weight345.42 g/mol
Exact Mass345.08
IUPAC Name3-[3-(benzenesulfonyl)naphthalen-2-yl]pyridine
SMILESO=S(=O)(c1ccccc1)c1cc2ccccc2cc1-c1cccnc1
InChIInChI=1S/C21H15NO2S/c23-25(24,19-10-2-1-3-11-19)21-14-17-8-5-4-7-16(17)13-20(21)18-9-6-12-22-15-18/h1-15H
InChIKeyUWHURXPFDTZGHJ-UHFFFAOYSA-N
XLogP4.73
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzenesulfonyl)naphthalen-2-yl]pyridine?
The IUPAC name of 3-[3-(benzenesulfonyl)naphthalen-2-yl]pyridine (CID 118720487) is 3-[3-(benzenesulfonyl)naphthalen-2-yl]pyridine.
What is the SMILES notation for 3-[3-(benzenesulfonyl)naphthalen-2-yl]pyridine?
The canonical SMILES for 3-[3-(benzenesulfonyl)naphthalen-2-yl]pyridine is O=S(=O)(c1ccccc1)c1cc2ccccc2cc1-c1cccnc1.
What is the InChIKey of 3-[3-(benzenesulfonyl)naphthalen-2-yl]pyridine?
The InChIKey is UWHURXPFDTZGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2S/c23-25(24,19-10-2-1-3-11-19)21-14-17-8-5-4-7-16(17)13-20(21)18-9-6-12-22-15-18/h1-15H.
What are the key properties of 3-[3-(benzenesulfonyl)naphthalen-2-yl]pyridine?
3-[3-(benzenesulfonyl)naphthalen-2-yl]pyridine has a molecular weight of 345.42 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(benzenesulfonyl)naphthalen-2-yl]pyridine is sourced from PubChem (CID 118720487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).