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

C18H13FO4S — CID 15434620

IUPAC(4-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone
SMILESCS(=O)(=O)c1ccc2c(C(=O)c3ccc(F)cc3)c(O)ccc2c1
InChIInChI=1S/C18H13FO4S/c1-24(22,23)14-7-8-15-12(10-14)4-9-16(20)17(15)18(21)11-2-5-13(19)6-3-11/h2-10,20H,1H3
InChIKeyQPHXXRHCBGDDJS-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.32
Rot. Bonds3

About (4-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone

(4-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone (PubChem CID 15434620) has the molecular formula C18H13FO4S and a molecular weight of 344.36 g/mol. Its IUPAC name is (4-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone
PubChem CID15434620
Molecular FormulaC18H13FO4S
Molecular Weight344.36 g/mol
Exact Mass344.05
IUPAC Name(4-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone
SMILESCS(=O)(=O)c1ccc2c(C(=O)c3ccc(F)cc3)c(O)ccc2c1
InChIInChI=1S/C18H13FO4S/c1-24(22,23)14-7-8-15-12(10-14)4-9-16(20)17(15)18(21)11-2-5-13(19)6-3-11/h2-10,20H,1H3
InChIKeyQPHXXRHCBGDDJS-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 (4-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone (CID 15434620) is (4-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone is CS(=O)(=O)c1ccc2c(C(=O)c3ccc(F)cc3)c(O)ccc2c1.
What is the InChIKey of (4-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone?
The InChIKey is QPHXXRHCBGDDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO4S/c1-24(22,23)14-7-8-15-12(10-14)4-9-16(20)17(15)18(21)11-2-5-13(19)6-3-11/h2-10,20H,1H3.
What are the key properties of (4-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone?
(4-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 (4-fluorophenyl)-(2-hydroxy-6-methylsulfonylnaphthalen-1-yl)methanone is sourced from PubChem (CID 15434620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).