2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid

C25H20F3NO6S — CID 22669411

IUPAC2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)cc(C)c1Oc1ccc2[nH]cc(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C25H20F3NO6S/c1-14-9-18(34-13-23(30)31)10-15(2)24(14)35-17-5-8-21-20(11-17)22(12-29-21)36(32,33)19-6-3-16(4-7-19)25(26,27)28/h3-12,29H,13H2,1-2H3,(H,30,31)
InChIKeyVDNPWMGLJMQCSH-UHFFFAOYSA-N
MW519.50 g/mol
LogP5.89
Rot. Bonds7

About 2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid

2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid (PubChem CID 22669411) has the molecular formula C25H20F3NO6S and a molecular weight of 519.50 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid
PubChem CID22669411
Molecular FormulaC25H20F3NO6S
Molecular Weight519.50 g/mol
Exact Mass519.10
IUPAC Name2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)cc(C)c1Oc1ccc2[nH]cc(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C25H20F3NO6S/c1-14-9-18(34-13-23(30)31)10-15(2)24(14)35-17-5-8-21-20(11-17)22(12-29-21)36(32,33)19-6-3-16(4-7-19)25(26,27)28/h3-12,29H,13H2,1-2H3,(H,30,31)
InChIKeyVDNPWMGLJMQCSH-UHFFFAOYSA-N
XLogP5.89
TPSA105.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.50
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]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-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid?
The IUPAC name of 2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid (CID 22669411) is 2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid?
The canonical SMILES for 2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid is Cc1cc(OCC(=O)O)cc(C)c1Oc1ccc2[nH]cc(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2c1.
What is the InChIKey of 2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid?
The InChIKey is VDNPWMGLJMQCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3NO6S/c1-14-9-18(34-13-23(30)31)10-15(2)24(14)35-17-5-8-21-20(11-17)22(12-29-21)36(32,33)19-6-3-16(4-7-19)25(26,27)28/h3-12,29H,13H2,1-2H3,(H,30,31).
What are the key properties of 2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid?
2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid has a molecular weight of 519.50 g/mol, XLogP of 5.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid is sourced from PubChem (CID 22669411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).