3-(5-bromo-1-naphthalen-1-ylsulfonylindol-3-yl)pyrrole-2,5-dione

C22H13BrN2O4S — CID 10206104

IUPAC3-(5-bromo-1-naphthalen-1-ylsulfonylindol-3-yl)pyrrole-2,5-dione
SMILESO=C1C=C(c2cn(S(=O)(=O)c3cccc4ccccc34)c3ccc(Br)cc23)C(=O)N1
InChIInChI=1S/C22H13BrN2O4S/c23-14-8-9-19-16(10-14)18(17-11-21(26)24-22(17)27)12-25(19)30(28,29)20-7-3-5-13-4-1-2-6-15(13)20/h1-12H,(H,24,26,27)
InChIKeyOXQRKMQLADWYAU-UHFFFAOYSA-N
MW481.33 g/mol
LogP3.83
Rot. Bonds3

About 3-(5-bromo-1-naphthalen-1-ylsulfonylindol-3-yl)pyrrole-2,5-dione

3-(5-bromo-1-naphthalen-1-ylsulfonylindol-3-yl)pyrrole-2,5-dione (PubChem CID 10206104) has the molecular formula C22H13BrN2O4S and a molecular weight of 481.33 g/mol. Its IUPAC name is 3-(5-bromo-1-naphthalen-1-ylsulfonylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-bromo-1-naphthalen-1-ylsulfonylindol-3-yl)pyrrole-2,5-dione
PubChem CID10206104
Molecular FormulaC22H13BrN2O4S
Molecular Weight481.33 g/mol
Exact Mass479.98
IUPAC Name3-(5-bromo-1-naphthalen-1-ylsulfonylindol-3-yl)pyrrole-2,5-dione
SMILESO=C1C=C(c2cn(S(=O)(=O)c3cccc4ccccc34)c3ccc(Br)cc23)C(=O)N1
InChIInChI=1S/C22H13BrN2O4S/c23-14-8-9-19-16(10-14)18(17-11-21(26)24-22(17)27)12-25(19)30(28,29)20-7-3-5-13-4-1-2-6-15(13)20/h1-12H,(H,24,26,27)
InChIKeyOXQRKMQLADWYAU-UHFFFAOYSA-N
XLogP3.83
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
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 3-(5-bromo-1-naphthalen-1-ylsulfonylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(5-bromo-1-naphthalen-1-ylsulfonylindol-3-yl)pyrrole-2,5-dione (CID 10206104) is 3-(5-bromo-1-naphthalen-1-ylsulfonylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-bromo-1-naphthalen-1-ylsulfonylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(5-bromo-1-naphthalen-1-ylsulfonylindol-3-yl)pyrrole-2,5-dione is O=C1C=C(c2cn(S(=O)(=O)c3cccc4ccccc34)c3ccc(Br)cc23)C(=O)N1.
What is the InChIKey of 3-(5-bromo-1-naphthalen-1-ylsulfonylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is OXQRKMQLADWYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrN2O4S/c23-14-8-9-19-16(10-14)18(17-11-21(26)24-22(17)27)12-25(19)30(28,29)20-7-3-5-13-4-1-2-6-15(13)20/h1-12H,(H,24,26,27).
What are the key properties of 3-(5-bromo-1-naphthalen-1-ylsulfonylindol-3-yl)pyrrole-2,5-dione?
3-(5-bromo-1-naphthalen-1-ylsulfonylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 481.33 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-naphthalen-1-ylsulfonylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 10206104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).