2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide

C22H13N3O6S — CID 137429251

IUPAC2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(N2C(=O)c3ccccc3C2=O)ccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H13N3O6S/c23-32(30,31)18-11-12(24-19(26)13-5-1-2-6-14(13)20(24)27)9-10-17(18)25-21(28)15-7-3-4-8-16(15)22(25)29/h1-11H,(H2,23,30,31)
InChIKeyNDUNUGLELSYKDI-UHFFFAOYSA-N
MW447.43 g/mol
LogP1.94
Rot. Bonds3

About 2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide

2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide (PubChem CID 137429251) has the molecular formula C22H13N3O6S and a molecular weight of 447.43 g/mol. Its IUPAC name is 2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide
PubChem CID137429251
Molecular FormulaC22H13N3O6S
Molecular Weight447.43 g/mol
Exact Mass447.05
IUPAC Name2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(N2C(=O)c3ccccc3C2=O)ccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H13N3O6S/c23-32(30,31)18-11-12(24-19(26)13-5-1-2-6-14(13)20(24)27)9-10-17(18)25-21(28)15-7-3-4-8-16(15)22(25)29/h1-11H,(H2,23,30,31)
InChIKeyNDUNUGLELSYKDI-UHFFFAOYSA-N
XLogP1.94
TPSA134.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide 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

2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-[4-(5-carboxy-1,3-dioxoisoindol-2-yl)-3-sulfophenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 25233513
4-(1,3-dioxoisoindol-2-yl)-2-methylbenzenesulfonic acid
CID 168511809
4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 168519429
2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 168518858
phenyl 5-(1,3-dioxoisoindol-2-yl)-2-methylbenzenesulfonate
CID 168518780
2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide
CID 18755844
2-(4-tert-butyl-3-hydroxyphenyl)isoindole-1,3-dione
CID 59395003
2-(9-bromophenanthren-3-yl)isoindole-1,3-dione
CID 168518453
4-(1,3-dioxoisoindol-2-yl)-2-nitrobenzenesulfonic acid
CID 168519854
2-(2,4-dihydroxyphenyl)isoindole-1,3-dione
CID 168516422
4-(1,3-dioxoisoindol-2-yl)benzenesulfonyl bromide
CID 87384764

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide (CID 137429251) is 2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide is NS(=O)(=O)c1cc(N2C(=O)c3ccccc3C2=O)ccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The InChIKey is NDUNUGLELSYKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N3O6S/c23-32(30,31)18-11-12(24-19(26)13-5-1-2-6-14(13)20(24)27)9-10-17(18)25-21(28)15-7-3-4-8-16(15)22(25)29/h1-11H,(H2,23,30,31).
What are the key properties of 2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide has a molecular weight of 447.43 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide is sourced from PubChem (CID 137429251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).