(2-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone

C18H13FO4S — CID 22125707

IUPAC(2-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone
SMILESCS(=O)(=O)c1ccc2c(C(=O)c3ccccc3F)c(O)ccc2c1
InChIInChI=1S/C18H13FO4S/c1-24(22,23)12-7-8-13-11(10-12)6-9-16(20)17(13)18(21)14-4-2-3-5-15(14)19/h2-10,20H,1H3
InChIKeyZHVMTTTZHMMRSL-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.32
Rot. Bonds3

About (2-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone

(2-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone (PubChem CID 22125707) has the molecular formula C18H13FO4S and a molecular weight of 344.36 g/mol. Its IUPAC name is (2-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone
PubChem CID22125707
Molecular FormulaC18H13FO4S
Molecular Weight344.36 g/mol
Exact Mass344.05
IUPAC Name(2-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone
SMILESCS(=O)(=O)c1ccc2c(C(=O)c3ccccc3F)c(O)ccc2c1
InChIInChI=1S/C18H13FO4S/c1-24(22,23)12-7-8-13-11(10-12)6-9-16(20)17(13)18(21)14-4-2-3-5-15(14)19/h2-10,20H,1H3
InChIKeyZHVMTTTZHMMRSL-UHFFFAOYSA-N
XLogP3.32
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone (CID 22125707) is (2-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone is CS(=O)(=O)c1ccc2c(C(=O)c3ccccc3F)c(O)ccc2c1.
What is the InChIKey of (2-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone?
The InChIKey is ZHVMTTTZHMMRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO4S/c1-24(22,23)12-7-8-13-11(10-12)6-9-16(20)17(13)18(21)14-4-2-3-5-15(14)19/h2-10,20H,1H3.
What are the key properties of (2-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone?
(2-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone has a molecular weight of 344.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone is sourced from PubChem (CID 22125707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).