2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione

C32H18F6N2O6S — CID 59266294

IUPAC2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione
SMILESCc1ccc(-c2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C32H18F6N2O6S/c1-15-3-7-19(25(11-15)31(33,34)35)20-8-4-16(12-26(20)32(36,37)38)40-29(43)22-10-6-18(14-24(22)30(40)44)47(45,46)17-5-9-21-23(13-17)28(42)39(2)27(21)41/h3-14H,1-2H3
InChIKeyLKAJRLJIUXSLRZ-UHFFFAOYSA-N
MW672.56 g/mol
LogP6.56
Rot. Bonds4

About 2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione

2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione (PubChem CID 59266294) has the molecular formula C32H18F6N2O6S and a molecular weight of 672.56 g/mol. Its IUPAC name is 2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione
PubChem CID59266294
Molecular FormulaC32H18F6N2O6S
Molecular Weight672.56 g/mol
Exact Mass672.08
IUPAC Name2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione
SMILESCc1ccc(-c2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C32H18F6N2O6S/c1-15-3-7-19(25(11-15)31(33,34)35)20-8-4-16(12-26(20)32(36,37)38)40-29(43)22-10-6-18(14-24(22)30(40)44)47(45,46)17-5-9-21-23(13-17)28(42)39(2)27(21)41/h3-14H,1-2H3
InChIKeyLKAJRLJIUXSLRZ-UHFFFAOYSA-N
XLogP6.56
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.56
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione 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-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione?
The IUPAC name of 2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione (CID 59266294) is 2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione is Cc1ccc(-c2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione?
The InChIKey is LKAJRLJIUXSLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F6N2O6S/c1-15-3-7-19(25(11-15)31(33,34)35)20-8-4-16(12-26(20)32(36,37)38)40-29(43)22-10-6-18(14-24(22)30(40)44)47(45,46)17-5-9-21-23(13-17)28(42)39(2)27(21)41/h3-14H,1-2H3.
What are the key properties of 2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione?
2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione has a molecular weight of 672.56 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione is sourced from PubChem (CID 59266294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).