2-[6-fluoro-4-[[4-(methylsulfamoyl)phenyl]methyl]naphthalen-2-yl]acetic acid

C20H18FNO4S — CID 59350804

IUPAC2-[6-fluoro-4-[[4-(methylsulfamoyl)phenyl]methyl]naphthalen-2-yl]acetic acid
SMILESCNS(=O)(=O)c1ccc(Cc2cc(CC(=O)O)cc3ccc(F)cc23)cc1
InChIInChI=1S/C20H18FNO4S/c1-22-27(25,26)18-6-2-13(3-7-18)8-16-10-14(11-20(23)24)9-15-4-5-17(21)12-19(15)16/h2-7,9-10,12,22H,8,11H2,1H3,(H,23,24)
InChIKeyFZCLPDLXXVMLSN-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.10
Rot. Bonds6

About 2-[6-fluoro-4-[[4-(methylsulfamoyl)phenyl]methyl]naphthalen-2-yl]acetic acid

2-[6-fluoro-4-[[4-(methylsulfamoyl)phenyl]methyl]naphthalen-2-yl]acetic acid (PubChem CID 59350804) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-[6-fluoro-4-[[4-(methylsulfamoyl)phenyl]methyl]naphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-4-[[4-(methylsulfamoyl)phenyl]methyl]naphthalen-2-yl]acetic acid
PubChem CID59350804
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC Name2-[6-fluoro-4-[[4-(methylsulfamoyl)phenyl]methyl]naphthalen-2-yl]acetic acid
SMILESCNS(=O)(=O)c1ccc(Cc2cc(CC(=O)O)cc3ccc(F)cc23)cc1
InChIInChI=1S/C20H18FNO4S/c1-22-27(25,26)18-6-2-13(3-7-18)8-16-10-14(11-20(23)24)9-15-4-5-17(21)12-19(15)16/h2-7,9-10,12,22H,8,11H2,1H3,(H,23,24)
InChIKeyFZCLPDLXXVMLSN-UHFFFAOYSA-N
XLogP3.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-4-[[4-(methylsulfamoyl)phenyl]methyl]naphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-4-[[4-(methylsulfamoyl)phenyl]methyl]naphthalen-2-yl]acetic acid (CID 59350804) is 2-[6-fluoro-4-[[4-(methylsulfamoyl)phenyl]methyl]naphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-4-[[4-(methylsulfamoyl)phenyl]methyl]naphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-4-[[4-(methylsulfamoyl)phenyl]methyl]naphthalen-2-yl]acetic acid is CNS(=O)(=O)c1ccc(Cc2cc(CC(=O)O)cc3ccc(F)cc23)cc1.
What is the InChIKey of 2-[6-fluoro-4-[[4-(methylsulfamoyl)phenyl]methyl]naphthalen-2-yl]acetic acid?
The InChIKey is FZCLPDLXXVMLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4S/c1-22-27(25,26)18-6-2-13(3-7-18)8-16-10-14(11-20(23)24)9-15-4-5-17(21)12-19(15)16/h2-7,9-10,12,22H,8,11H2,1H3,(H,23,24).
What are the key properties of 2-[6-fluoro-4-[[4-(methylsulfamoyl)phenyl]methyl]naphthalen-2-yl]acetic acid?
2-[6-fluoro-4-[[4-(methylsulfamoyl)phenyl]methyl]naphthalen-2-yl]acetic acid has a molecular weight of 387.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-4-[[4-(methylsulfamoyl)phenyl]methyl]naphthalen-2-yl]acetic acid is sourced from PubChem (CID 59350804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).