2-amino-2-[4-[[3-(4-fluorophenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid

C24H21FN2O5S — CID 22669384

IUPAC2-amino-2-[4-[[3-(4-fluorophenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid
SMILESCc1cc(C(N)C(=O)O)cc(C)c1Oc1ccc2[nH]cc(S(=O)(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H21FN2O5S/c1-13-9-15(22(26)24(28)29)10-14(2)23(13)32-17-5-8-20-19(11-17)21(12-27-20)33(30,31)18-6-3-16(25)4-7-18/h3-12,22,27H,26H2,1-2H3,(H,28,29)
InChIKeyQNDIXPQSQSZIJL-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.63
Rot. Bonds6

About 2-amino-2-[4-[[3-(4-fluorophenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid

2-amino-2-[4-[[3-(4-fluorophenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid (PubChem CID 22669384) has the molecular formula C24H21FN2O5S and a molecular weight of 468.51 g/mol. Its IUPAC name is 2-amino-2-[4-[[3-(4-fluorophenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-[[3-(4-fluorophenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid
PubChem CID22669384
Molecular FormulaC24H21FN2O5S
Molecular Weight468.51 g/mol
Exact Mass468.12
IUPAC Name2-amino-2-[4-[[3-(4-fluorophenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid
SMILESCc1cc(C(N)C(=O)O)cc(C)c1Oc1ccc2[nH]cc(S(=O)(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H21FN2O5S/c1-13-9-15(22(26)24(28)29)10-14(2)23(13)32-17-5-8-20-19(11-17)21(12-27-20)33(30,31)18-6-3-16(25)4-7-18/h3-12,22,27H,26H2,1-2H3,(H,28,29)
InChIKeyQNDIXPQSQSZIJL-UHFFFAOYSA-N
XLogP4.63
TPSA122.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-[[3-(4-fluorophenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-[[3-(4-fluorophenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid (CID 22669384) is 2-amino-2-[4-[[3-(4-fluorophenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-[[3-(4-fluorophenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-[[3-(4-fluorophenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid is Cc1cc(C(N)C(=O)O)cc(C)c1Oc1ccc2[nH]cc(S(=O)(=O)c3ccc(F)cc3)c2c1.
What is the InChIKey of 2-amino-2-[4-[[3-(4-fluorophenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid?
The InChIKey is QNDIXPQSQSZIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O5S/c1-13-9-15(22(26)24(28)29)10-14(2)23(13)32-17-5-8-20-19(11-17)21(12-27-20)33(30,31)18-6-3-16(25)4-7-18/h3-12,22,27H,26H2,1-2H3,(H,28,29).
What are the key properties of 2-amino-2-[4-[[3-(4-fluorophenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid?
2-amino-2-[4-[[3-(4-fluorophenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid has a molecular weight of 468.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-[[3-(4-fluorophenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid is sourced from PubChem (CID 22669384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).