2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide

C20H15N3O6S2 — CID 168518858

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H15N3O6S2/c21-30(26,27)14-11-9-13(10-12-14)22-31(28,29)18-8-4-3-7-17(18)23-19(24)15-5-1-2-6-16(15)20(23)25/h1-12,22H,(H2,21,26,27)
InChIKeyVDUJJZHPJLSLFW-UHFFFAOYSA-N
MW457.49 g/mol
LogP1.94
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 168518858) has the molecular formula C20H15N3O6S2 and a molecular weight of 457.49 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
PubChem CID168518858
Molecular FormulaC20H15N3O6S2
Molecular Weight457.49 g/mol
Exact Mass457.04
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H15N3O6S2/c21-30(26,27)14-11-9-13(10-12-14)22-31(28,29)18-8-4-3-7-17(18)23-19(24)15-5-1-2-6-16(15)20(23)25/h1-12,22H,(H2,21,26,27)
InChIKeyVDUJJZHPJLSLFW-UHFFFAOYSA-N
XLogP1.94
TPSA143.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride
CID 132988288
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide
CID 110352354
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide
CID 168517046
4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 168519429
N-butyl-2-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 168516960
2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 137429251
2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide
CID 18755844
4-[[4-chloro-1-(2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide
CID 1186093
2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951370
2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide
CID 43980578
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide (CID 168518858) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is VDUJJZHPJLSLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O6S2/c21-30(26,27)14-11-9-13(10-12-14)22-31(28,29)18-8-4-3-7-17(18)23-19(24)15-5-1-2-6-16(15)20(23)25/h1-12,22H,(H2,21,26,27).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 457.49 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 168518858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).