1-(4-fluorophenyl)sulfonyl-2-methoxy-6-methylsulfonylnaphthalene

C18H15FO5S2 — CID 15434617

IUPAC1-(4-fluorophenyl)sulfonyl-2-methoxy-6-methylsulfonylnaphthalene
SMILESCOc1ccc2cc(S(C)(=O)=O)ccc2c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FO5S2/c1-24-17-10-3-12-11-15(25(2,20)21)8-9-16(12)18(17)26(22,23)14-6-4-13(19)5-7-14/h3-11H,1-2H3
InChIKeyLRDYFLSPMAZWPE-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.22
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-2-methoxy-6-methylsulfonylnaphthalene

1-(4-fluorophenyl)sulfonyl-2-methoxy-6-methylsulfonylnaphthalene (PubChem CID 15434617) has the molecular formula C18H15FO5S2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2-methoxy-6-methylsulfonylnaphthalene.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2-methoxy-6-methylsulfonylnaphthalene
PubChem CID15434617
Molecular FormulaC18H15FO5S2
Molecular Weight394.45 g/mol
Exact Mass394.03
IUPAC Name1-(4-fluorophenyl)sulfonyl-2-methoxy-6-methylsulfonylnaphthalene
SMILESCOc1ccc2cc(S(C)(=O)=O)ccc2c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FO5S2/c1-24-17-10-3-12-11-15(25(2,20)21)8-9-16(12)18(17)26(22,23)14-6-4-13(19)5-7-14/h3-11H,1-2H3
InChIKeyLRDYFLSPMAZWPE-UHFFFAOYSA-N
XLogP3.22
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-methoxy-6-methylsulfonylnaphthalene?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-methoxy-6-methylsulfonylnaphthalene (CID 15434617) is 1-(4-fluorophenyl)sulfonyl-2-methoxy-6-methylsulfonylnaphthalene.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2-methoxy-6-methylsulfonylnaphthalene?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2-methoxy-6-methylsulfonylnaphthalene is COc1ccc2cc(S(C)(=O)=O)ccc2c1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2-methoxy-6-methylsulfonylnaphthalene?
The InChIKey is LRDYFLSPMAZWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO5S2/c1-24-17-10-3-12-11-15(25(2,20)21)8-9-16(12)18(17)26(22,23)14-6-4-13(19)5-7-14/h3-11H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2-methoxy-6-methylsulfonylnaphthalene?
1-(4-fluorophenyl)sulfonyl-2-methoxy-6-methylsulfonylnaphthalene has a molecular weight of 394.45 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2-methoxy-6-methylsulfonylnaphthalene is sourced from PubChem (CID 15434617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).