6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one

C16H13FO3S — CID 66651728

IUPAC6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(S(=O)(=O)c3ccccc3F)ccc21
InChIInChI=1S/C16H13FO3S/c17-14-5-1-2-7-16(14)21(19,20)12-8-9-13-11(10-12)4-3-6-15(13)18/h1-2,5,7-10H,3-4,6H2
InChIKeyUGTNXKGPPIIGRR-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.18
Rot. Bonds2

About 6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one

6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 66651728) has the molecular formula C16H13FO3S and a molecular weight of 304.34 g/mol. Its IUPAC name is 6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID66651728
Molecular FormulaC16H13FO3S
Molecular Weight304.34 g/mol
Exact Mass304.06
IUPAC Name6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(S(=O)(=O)c3ccccc3F)ccc21
InChIInChI=1S/C16H13FO3S/c17-14-5-1-2-7-16(14)21(19,20)12-8-9-13-11(10-12)4-3-6-15(13)18/h1-2,5,7-10H,3-4,6H2
InChIKeyUGTNXKGPPIIGRR-UHFFFAOYSA-N
XLogP3.18
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one (CID 66651728) is 6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(S(=O)(=O)c3ccccc3F)ccc21.
What is the InChIKey of 6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is UGTNXKGPPIIGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3S/c17-14-5-1-2-7-16(14)21(19,20)12-8-9-13-11(10-12)4-3-6-15(13)18/h1-2,5,7-10H,3-4,6H2.
What are the key properties of 6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one?
6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 304.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 66651728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).