2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid

C26H21FO6S — CID 59326481

IUPAC2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid
SMILESCOc1ccc(S(=O)(=O)c2ccc(Oc3c(C)c(CC(=O)O)cc4ccc(F)cc34)cc2)cc1
InChIInChI=1S/C26H21FO6S/c1-16-18(14-25(28)29)13-17-3-4-19(27)15-24(17)26(16)33-21-7-11-23(12-8-21)34(30,31)22-9-5-20(32-2)6-10-22/h3-13,15H,14H2,1-2H3,(H,28,29)
InChIKeyPKWYFSYUXJLJNR-UHFFFAOYSA-N
MW480.51 g/mol
LogP5.55
Rot. Bonds7

About 2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid

2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid (PubChem CID 59326481) has the molecular formula C26H21FO6S and a molecular weight of 480.51 g/mol. Its IUPAC name is 2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid
PubChem CID59326481
Molecular FormulaC26H21FO6S
Molecular Weight480.51 g/mol
Exact Mass480.10
IUPAC Name2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid
SMILESCOc1ccc(S(=O)(=O)c2ccc(Oc3c(C)c(CC(=O)O)cc4ccc(F)cc34)cc2)cc1
InChIInChI=1S/C26H21FO6S/c1-16-18(14-25(28)29)13-17-3-4-19(27)15-24(17)26(16)33-21-7-11-23(12-8-21)34(30,31)22-9-5-20(32-2)6-10-22/h3-13,15H,14H2,1-2H3,(H,28,29)
InChIKeyPKWYFSYUXJLJNR-UHFFFAOYSA-N
XLogP5.55
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.51
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid (CID 59326481) is 2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid is COc1ccc(S(=O)(=O)c2ccc(Oc3c(C)c(CC(=O)O)cc4ccc(F)cc34)cc2)cc1.
What is the InChIKey of 2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid?
The InChIKey is PKWYFSYUXJLJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FO6S/c1-16-18(14-25(28)29)13-17-3-4-19(27)15-24(17)26(16)33-21-7-11-23(12-8-21)34(30,31)22-9-5-20(32-2)6-10-22/h3-13,15H,14H2,1-2H3,(H,28,29).
What are the key properties of 2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid?
2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid has a molecular weight of 480.51 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid is sourced from PubChem (CID 59326481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).