N-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide

C15H9Cl2N3O5S — CID 165430363

IUPACN-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
InChIInChI=1S/C15H9Cl2N3O5S/c16-11-5-9-10(6-12(11)17)15(23)20(14(9)22)19-13(21)7-1-3-8(4-2-7)26(18,24)25/h1-6H,(H,19,21)(H2,18,24,25)
InChIKeyZISBSVOWWSSQFO-UHFFFAOYSA-N
MW414.23 g/mol
LogP1.58
Rot. Bonds3

About N-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide

N-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide (PubChem CID 165430363) has the molecular formula C15H9Cl2N3O5S and a molecular weight of 414.23 g/mol. Its IUPAC name is N-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide
PubChem CID165430363
Molecular FormulaC15H9Cl2N3O5S
Molecular Weight414.23 g/mol
Exact Mass412.96
IUPAC NameN-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
InChIInChI=1S/C15H9Cl2N3O5S/c16-11-5-9-10(6-12(11)17)15(23)20(14(9)22)19-13(21)7-1-3-8(4-2-7)26(18,24)25/h1-6H,(H,19,21)(H2,18,24,25)
InChIKeyZISBSVOWWSSQFO-UHFFFAOYSA-N
XLogP1.58
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide?
The IUPAC name of N-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide (CID 165430363) is N-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1.
What is the InChIKey of N-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide?
The InChIKey is ZISBSVOWWSSQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O5S/c16-11-5-9-10(6-12(11)17)15(23)20(14(9)22)19-13(21)7-1-3-8(4-2-7)26(18,24)25/h1-6H,(H,19,21)(H2,18,24,25).
What are the key properties of N-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide?
N-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide has a molecular weight of 414.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-sulfamoylbenzamide is sourced from PubChem (CID 165430363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).