(1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite

C124H105F3N8O41S8 — CID 158027711

About (1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite

(1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite (PubChem CID 158027711) has the molecular formula C124H105F3N8O41S8 and a molecular weight of 2676.75 g/mol. Its IUPAC name is (1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite.

Molecular Properties

• Compound Name: (1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite
• PubChem CID: 158027711
• Molecular Formula: C124H105F3N8O41S8
• Molecular Weight: 2676.75 g/mol
• Exact Mass: 2674.41
• IUPAC Name: (1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite
• SMILES: CCCCCCCCCCCCCCCCOS(=O)ON1C(=O)c2cccc3cccc(c23)C1=O.CCOS(=O)ON1C(=O)C=CC1=O.CCOS(=O)ON1C(=O)c2cccc3cccc(c23)C1=O.COc1ccc(OS(=O)ON2C(=O)c3ccccc3C2=O)c2ccccc12.O=C1C=C(c2ccccc2)C(=O)N1OS(=O)Oc1ccccc1.O=C1C=CC(=O)N1OS(=O)Oc1ccccc1.O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)OC(F)(F)F.O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)Oc1ccccc1
• InChI: InChI=1S/C28H39NO5S.C19H13NO6S.C18H11NO5S.C16H11NO5S.C14H11NO5S.C13H6F3NO5S.C10H7NO5S.C6H7NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-33-35(32)34-29-27(30)24-20-16-18-23-19-17-21-25(26(23)24)28(29)31;1-24-16-10-11-17(13-7-3-2-6-12(13)16)25-27(23)26-20-18(21)14-8-4-5-9-15(14)19(20)22;20-17-14-10-4-6-12-7-5-11-15(16(12)14)18(21)19(17)24-25(22)23-13-8-2-1-3-9-13;18-15-11-14(12-7-3-1-4-8-12)16(19)17(15)22-23(20)21-13-9-5-2-6-10-13;1-2-19-21(18)20-15-13(16)10-7-3-5-9-6-4-8-11(12(9)10)14(15)17;14-13(15,16)21-23(20)22-17-11(18)8-5-1-3-7-4-2-6-9(10(7)8)12(17)19;12-9-6-7-10(13)11(9)16-17(14)15-8-4-2-1-3-5-8;1-2-11-13(10)12-7-5(8)3-4-6(7)9/h16-21H,2-15,22H2,1H3;2-11H,1H3;1-11H;1-11H;3-8H,2H2,1H3;1-6H;1-7H;3-4H,2H2,1H3
• InChIKey: FGUKCHFVTRMSOB-UHFFFAOYSA-N
• XLogP: 19.95
• TPSA: 592.51 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 47
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2676.75
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite?

The IUPAC name of (1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite (CID 158027711) is (1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite.

What is the SMILES notation for (1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite?

The canonical SMILES for (1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite is CCCCCCCCCCCCCCCCOS(=O)ON1C(=O)c2cccc3cccc(c23)C1=O.CCOS(=O)ON1C(=O)C=CC1=O.CCOS(=O)ON1C(=O)c2cccc3cccc(c23)C1=O.COc1ccc(OS(=O)ON2C(=O)c3ccccc3C2=O)c2ccccc12.O=C1C=C(c2ccccc2)C(=O)N1OS(=O)Oc1ccccc1.O=C1C=CC(=O)N1OS(=O)Oc1ccccc1.O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)OC(F)(F)F.O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)Oc1ccccc1.

What is the InChIKey of (1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite?

The InChIKey is FGUKCHFVTRMSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39NO5S.C19H13NO6S.C18H11NO5S.C16H11NO5S.C14H11NO5S.C13H6F3NO5S.C10H7NO5S.C6H7NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-33-35(32)34-29-27(30)24-20-16-18-23-19-17-21-25(26(23)24)28(29)31;1-24-16-10-11-17(13-7-3-2-6-12(13)16)25-27(23)26-20-18(21)14-8-4-5-9-15(14)19(20)22;20-17-14-10-4-6-12-7-5-11-15(16(12)14)18(21)19(17)24-25(22)23-13-8-2-1-3-9-13;18-15-11-14(12-7-3-1-4-8-12)16(19)17(15)22-23(20)21-13-9-5-2-6-10-13;1-2-19-21(18)20-15-13(16)10-7-3-5-9-6-4-8-11(12(9)10)14(15)17;14-13(15,16)21-23(20)22-17-11(18)8-5-1-3-7-4-2-6-9(10(7)8)12(17)19;12-9-6-7-10(13)11(9)16-17(14)15-8-4-2-1-3-5-8;1-2-11-13(10)12-7-5(8)3-4-6(7)9/h16-21H,2-15,22H2,1H3;2-11H,1H3;1-11H;1-11H;3-8H,2H2,1H3;1-6H;1-7H;3-4H,2H2,1H3.

What are the key properties of (1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite?

(1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite has a molecular weight of 2676.75 g/mol, XLogP of 19.95, 47 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite is sourced from PubChem (CID 158027711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).