1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide

C17H16N2O4S — CID 98986189

IUPAC1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c(C)c1
InChIInChI=1S/C17H16N2O4S/c1-9-6-10(2)15(11(3)7-9)19-24(22,23)12-4-5-13-14(8-12)17(21)18-16(13)20/h4-8,19H,1-3H3,(H,18,20,21)
InChIKeyASVQTUMXTIHGRB-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.30
Rot. Bonds3

About 1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide

1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide (PubChem CID 98986189) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide.

Molecular Properties

Compound Name1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide
PubChem CID98986189
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c(C)c1
InChIInChI=1S/C17H16N2O4S/c1-9-6-10(2)15(11(3)7-9)19-24(22,23)12-4-5-13-14(8-12)17(21)18-16(13)20/h4-8,19H,1-3H3,(H,18,20,21)
InChIKeyASVQTUMXTIHGRB-UHFFFAOYSA-N
XLogP2.30
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide 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

N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 95234534
N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820383
N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56582379
N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820442
N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56582438
3-oxo-N-(2,4,6-trimethylphenyl)-4H-1,4-benzothiazine-6-sulfonamide
CID 22550030
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 43256286
N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
CID 1244571
4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 973584
N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide
CID 56560691
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide?
The IUPAC name of 1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide (CID 98986189) is 1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide.
What is the SMILES notation for 1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide?
The canonical SMILES for 1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide is Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c(C)c1.
What is the InChIKey of 1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide?
The InChIKey is ASVQTUMXTIHGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-9-6-10(2)15(11(3)7-9)19-24(22,23)12-4-5-13-14(8-12)17(21)18-16(13)20/h4-8,19H,1-3H3,(H,18,20,21).
What are the key properties of 1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide?
1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide has a molecular weight of 344.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide is sourced from PubChem (CID 98986189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).