6-naphthalen-2-ylsulfonylhexan-2-one

C16H18O3S — CID 64642402

IUPAC6-naphthalen-2-ylsulfonylhexan-2-one
SMILESCC(=O)CCCCS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H18O3S/c1-13(17)6-4-5-11-20(18,19)16-10-9-14-7-2-3-8-15(14)12-16/h2-3,7-10,12H,4-6,11H2,1H3
InChIKeyCQFMWSZUSJJDLG-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.37
Rot. Bonds6

About 6-naphthalen-2-ylsulfonylhexan-2-one

6-naphthalen-2-ylsulfonylhexan-2-one (PubChem CID 64642402) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 6-naphthalen-2-ylsulfonylhexan-2-one.

Molecular Properties

Compound Name6-naphthalen-2-ylsulfonylhexan-2-one
PubChem CID64642402
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name6-naphthalen-2-ylsulfonylhexan-2-one
SMILESCC(=O)CCCCS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H18O3S/c1-13(17)6-4-5-11-20(18,19)16-10-9-14-7-2-3-8-15(14)12-16/h2-3,7-10,12H,4-6,11H2,1H3
InChIKeyCQFMWSZUSJJDLG-UHFFFAOYSA-N
XLogP3.37
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-naphthalen-2-ylsulfonylhept-1-en-3-one
CID 58338825
6-(3,4-dimethylphenyl)sulfonylhexan-2-one
CID 64642717
3-naphthalen-2-ylsulfonylpropane-1-sulfonamide
CID 56801860
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)hexan-2-one
CID 64641999
N,N-diethyl-2-naphthalen-2-ylsulfonylacetamide
CID 56731913
ethane;5-naphthalen-2-ylpentan-2-one
CID 177221326
6-(2-methylphenyl)sulfonylhexan-2-one
CID 64638073
N-naphthalen-2-yl-8-oxononanamide
CID 156626701
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one
CID 64642185
N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide
CID 19584005
2-(2-azidoethylsulfonyl)naphthalene
CID 61396912
3-[methyl(2-naphthalen-2-ylsulfonylethyl)amino]benzoic acid
CID 18506556

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-ylsulfonylhexan-2-one?
The IUPAC name of 6-naphthalen-2-ylsulfonylhexan-2-one (CID 64642402) is 6-naphthalen-2-ylsulfonylhexan-2-one.
What is the SMILES notation for 6-naphthalen-2-ylsulfonylhexan-2-one?
The canonical SMILES for 6-naphthalen-2-ylsulfonylhexan-2-one is CC(=O)CCCCS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 6-naphthalen-2-ylsulfonylhexan-2-one?
The InChIKey is CQFMWSZUSJJDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-13(17)6-4-5-11-20(18,19)16-10-9-14-7-2-3-8-15(14)12-16/h2-3,7-10,12H,4-6,11H2,1H3.
What are the key properties of 6-naphthalen-2-ylsulfonylhexan-2-one?
6-naphthalen-2-ylsulfonylhexan-2-one has a molecular weight of 290.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-ylsulfonylhexan-2-one is sourced from PubChem (CID 64642402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).