2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid

C23H18FNO5S — CID 66920479

IUPAC2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid
SMILESCc1ccc(F)cc1Oc1c(C(=O)O)c2ccc(S(C)(=O)=O)cc2n1-c1ccccc1
InChIInChI=1S/C23H18FNO5S/c1-14-8-9-15(24)12-20(14)30-22-21(23(26)27)18-11-10-17(31(2,28)29)13-19(18)25(22)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,26,27)
InChIKeyZQTOVNRCJIXXRQ-UHFFFAOYSA-N
MW439.46 g/mol
LogP4.97
Rot. Bonds5

About 2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid

2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid (PubChem CID 66920479) has the molecular formula C23H18FNO5S and a molecular weight of 439.46 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid
PubChem CID66920479
Molecular FormulaC23H18FNO5S
Molecular Weight439.46 g/mol
Exact Mass439.09
IUPAC Name2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid
SMILESCc1ccc(F)cc1Oc1c(C(=O)O)c2ccc(S(C)(=O)=O)cc2n1-c1ccccc1
InChIInChI=1S/C23H18FNO5S/c1-14-8-9-15(24)12-20(14)30-22-21(23(26)27)18-11-10-17(31(2,28)29)13-19(18)25(22)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,26,27)
InChIKeyZQTOVNRCJIXXRQ-UHFFFAOYSA-N
XLogP4.97
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic 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-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid (CID 66920479) is 2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid is Cc1ccc(F)cc1Oc1c(C(=O)O)c2ccc(S(C)(=O)=O)cc2n1-c1ccccc1.
What is the InChIKey of 2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid?
The InChIKey is ZQTOVNRCJIXXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO5S/c1-14-8-9-15(24)12-20(14)30-22-21(23(26)27)18-11-10-17(31(2,28)29)13-19(18)25(22)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,26,27).
What are the key properties of 2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid?
2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid has a molecular weight of 439.46 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid is sourced from PubChem (CID 66920479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).