4-sulfamoyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzamide

C15H7Cl4N3O5S — CID 165430324

IUPAC4-sulfamoyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1
InChIInChI=1S/C15H7Cl4N3O5S/c16-9-7-8(10(17)12(19)11(9)18)15(25)22(14(7)24)21-13(23)5-1-3-6(4-2-5)28(20,26)27/h1-4H,(H,21,23)(H2,20,26,27)
InChIKeyDKGSEOGCJUDPKK-UHFFFAOYSA-N
MW483.12 g/mol
LogP2.89
Rot. Bonds3

About 4-sulfamoyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzamide

4-sulfamoyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 165430324) has the molecular formula C15H7Cl4N3O5S and a molecular weight of 483.12 g/mol. Its IUPAC name is 4-sulfamoyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound Name4-sulfamoyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzamide
PubChem CID165430324
Molecular FormulaC15H7Cl4N3O5S
Molecular Weight483.12 g/mol
Exact Mass480.89
IUPAC Name4-sulfamoyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1
InChIInChI=1S/C15H7Cl4N3O5S/c16-9-7-8(10(17)12(19)11(9)18)15(25)22(14(7)24)21-13(23)5-1-3-6(4-2-5)28(20,26)27/h1-4H,(H,21,23)(H2,20,26,27)
InChIKeyDKGSEOGCJUDPKK-UHFFFAOYSA-N
XLogP2.89
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.12
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-sulfamoyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of 4-sulfamoyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzamide (CID 165430324) is 4-sulfamoyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for 4-sulfamoyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for 4-sulfamoyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzamide is NS(=O)(=O)c1ccc(C(=O)NN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1.
What is the InChIKey of 4-sulfamoyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is DKGSEOGCJUDPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl4N3O5S/c16-9-7-8(10(17)12(19)11(9)18)15(25)22(14(7)24)21-13(23)5-1-3-6(4-2-5)28(20,26)27/h1-4H,(H,21,23)(H2,20,26,27).
What are the key properties of 4-sulfamoyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzamide?
4-sulfamoyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 483.12 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 165430324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).