[4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate

C32H20N2O10S — CID 172500707

IUPAC[4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
SMILESCN1C(=O)c2ccc(C(=O)Oc3ccc(S(=O)(=O)c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4)cc3)cc2C1=O
InChIInChI=1S/C32H20N2O10S/c1-33-27(35)23-13-3-17(15-25(23)29(33)37)31(39)43-19-5-9-21(10-6-19)45(41,42)22-11-7-20(8-12-22)44-32(40)18-4-14-24-26(16-18)30(38)34(2)28(24)36/h3-16H,1-2H3
InChIKeyRCIRLTPXLZRJNZ-UHFFFAOYSA-N
MW624.58 g/mol
LogP3.41
Rot. Bonds6

About [4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate

[4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate (PubChem CID 172500707) has the molecular formula C32H20N2O10S and a molecular weight of 624.58 g/mol. Its IUPAC name is [4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Name[4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
PubChem CID172500707
Molecular FormulaC32H20N2O10S
Molecular Weight624.58 g/mol
Exact Mass624.08
IUPAC Name[4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
SMILESCN1C(=O)c2ccc(C(=O)Oc3ccc(S(=O)(=O)c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4)cc3)cc2C1=O
InChIInChI=1S/C32H20N2O10S/c1-33-27(35)23-13-3-17(15-25(23)29(33)37)31(39)43-19-5-9-21(10-6-19)45(41,42)22-11-7-20(8-12-22)44-32(40)18-4-14-24-26(16-18)30(38)34(2)28(24)36/h3-16H,1-2H3
InChIKeyRCIRLTPXLZRJNZ-UHFFFAOYSA-N
XLogP3.41
TPSA161.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.58
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

7-Ethyl-17-methyl-2,2-bis(trifluoromethyl)-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),3,5(9),10,13,15(19)-hexaene-6,8,16,18-tetrone;2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene
CID 161389346
[4-[4-(2-Hexyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]phenyl] 2-hexyl-1,3-dioxoisoindole-5-carboxylate
CID 102001346
2-Methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylphenoxy]phenyl]sulfonylisoindole-1,3-dione
CID 14818167
2-Methyl-4-[4-[4-(2-methyl-1,3-dioxoisoindol-4-yl)sulfanylphenoxy]phenyl]sulfanylisoindole-1,3-dione
CID 21434750
[4-(2-Ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 22949752
(4-Methoxyphenyl) 2-[[5-(4-ethoxyphenoxy)carbonyl-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxylate
CID 54085874
2-[4-[4-(5-Formyloxy-1,3-dioxoisoindol-2-yl)oxysulfonylphenoxy]phenyl]sulfonyloxy-1,3-dioxoisoindole-5-carboxylic acid
CID 58288737
[5-(Hydroxymethyl)-1,3-dioxoisoindol-2-yl] 4-[4-[5-(hydroxymethyl)-1,3-dioxoisoindol-2-yl]oxysulfonylphenoxy]benzenesulfonate
CID 58288740
6-Methyl-2-[4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 58870570
6-Methyl-2-[3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 58870571
[4-[2-[4-[2-(2-Methylprop-2-enoyl)-1,3-dioxoisoindole-5-carbonyl]oxyphenyl]propan-2-yl]phenyl] 2-(2-methylprop-2-enoyl)-1,3-dioxoisoindole-5-carboxylate
CID 59509836
[4-[2-[4-(2-Acetyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]propan-2-yl]phenyl] 2-acetyl-1,3-dioxoisoindole-5-carboxylate
CID 59509859

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of [4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate (CID 172500707) is [4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for [4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for [4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate is CN1C(=O)c2ccc(C(=O)Oc3ccc(S(=O)(=O)c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4)cc3)cc2C1=O.
What is the InChIKey of [4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is RCIRLTPXLZRJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2O10S/c1-33-27(35)23-13-3-17(15-25(23)29(33)37)31(39)43-19-5-9-21(10-6-19)45(41,42)22-11-7-20(8-12-22)44-32(40)18-4-14-24-26(16-18)30(38)34(2)28(24)36/h3-16H,1-2H3.
What are the key properties of [4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate?
[4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 624.58 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl]sulfonylphenyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 172500707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).