1-(4-fluoronaphthalen-1-yl)sulfonylpiperidine

C15H16FNO2S — CID 558772

IUPAC1-(4-fluoronaphthalen-1-yl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)c2ccccc12)N1CCCCC1
InChIInChI=1S/C15H16FNO2S/c16-14-8-9-15(13-7-3-2-6-12(13)14)20(18,19)17-10-4-1-5-11-17/h2-3,6-9H,1,4-5,10-11H2
InChIKeyQXJQYGMSKPCECK-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.15
Rot. Bonds2

About 1-(4-fluoronaphthalen-1-yl)sulfonylpiperidine

1-(4-fluoronaphthalen-1-yl)sulfonylpiperidine (PubChem CID 558772) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-(4-fluoronaphthalen-1-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-fluoronaphthalen-1-yl)sulfonylpiperidine
PubChem CID558772
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name1-(4-fluoronaphthalen-1-yl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)c2ccccc12)N1CCCCC1
InChIInChI=1S/C15H16FNO2S/c16-14-8-9-15(13-7-3-2-6-12(13)14)20(18,19)17-10-4-1-5-11-17/h2-3,6-9H,1,4-5,10-11H2
InChIKeyQXJQYGMSKPCECK-UHFFFAOYSA-N
XLogP3.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoronaphthalen-1-yl)sulfonylpiperidine?
The IUPAC name of 1-(4-fluoronaphthalen-1-yl)sulfonylpiperidine (CID 558772) is 1-(4-fluoronaphthalen-1-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-fluoronaphthalen-1-yl)sulfonylpiperidine?
The canonical SMILES for 1-(4-fluoronaphthalen-1-yl)sulfonylpiperidine is O=S(=O)(c1ccc(F)c2ccccc12)N1CCCCC1.
What is the InChIKey of 1-(4-fluoronaphthalen-1-yl)sulfonylpiperidine?
The InChIKey is QXJQYGMSKPCECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c16-14-8-9-15(13-7-3-2-6-12(13)14)20(18,19)17-10-4-1-5-11-17/h2-3,6-9H,1,4-5,10-11H2.
What are the key properties of 1-(4-fluoronaphthalen-1-yl)sulfonylpiperidine?
1-(4-fluoronaphthalen-1-yl)sulfonylpiperidine has a molecular weight of 293.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoronaphthalen-1-yl)sulfonylpiperidine is sourced from PubChem (CID 558772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).