(3,4-dimethyl-2,5-dioxopyrrol-1-yl) trifluoromethyl sulfite;bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxoisoindol-2-yl) trifluoromethyl sulfite;(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) (2,4,6-trimethylphenyl) sulfite

C124H78F19N9O45S9 — CID 158636787

About (3,4-dimethyl-2,5-dioxopyrrol-1-yl) trifluoromethyl sulfite;bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxoisoindol-2-yl) trifluoromethyl sulfite;(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) (2,4,6-trimethylphenyl) sulfite

(3,4-dimethyl-2,5-dioxopyrrol-1-yl) trifluoromethyl sulfite;bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxoisoindol-2-yl) trifluoromethyl sulfite;(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) (2,4,6-trimethylphenyl) sulfite (PubChem CID 158636787) has the molecular formula C124H78F19N9O45S9 and a molecular weight of 3063.57 g/mol. Its IUPAC name is (3,4-dimethyl-2,5-dioxopyrrol-1-yl) trifluoromethyl sulfite;bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxoisoindol-2-yl) trifluoromethyl sulfite;(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) (2,4,6-trimethylphenyl) sulfite.

Molecular Properties

• Compound Name: (3,4-dimethyl-2,5-dioxopyrrol-1-yl) trifluoromethyl sulfite;bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxoisoindol-2-yl) trifluoromethyl sulfite;(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) (2,4,6-trimethylphenyl) sulfite
• PubChem CID: 158636787
• Molecular Formula: C124H78F19N9O45S9
• Molecular Weight: 3063.57 g/mol
• Exact Mass: 3061.13
• IUPAC Name: (3,4-dimethyl-2,5-dioxopyrrol-1-yl) trifluoromethyl sulfite;bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxoisoindol-2-yl) trifluoromethyl sulfite;(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) (2,4,6-trimethylphenyl) sulfite
• SMILES: CC1=C(C)C(=O)N(OS(=O)OC(F)(F)F)C1=O.CCOS(=O)ON1C(=O)c2cccc3cccc(c23)C1=O.CCOS(=O)ON1C(=O)c2cccc3cccc(c23)C1=O.Cc1cc(C)c(OS(=O)ON2C(=O)C3=C(CCCC3)C2=O)c(C)c1.O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)OC(F)(F)F.O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)Oc1c(F)c(F)c(F)c(F)c1F.O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)Oc1ccccc1.O=C1c2ccccc2C(=O)N1OS(=O)OC(F)(F)F.O=C1c2ccccc2C(=O)N1OS(=O)Oc1c(F)c(F)c(F)c(F)c1F
• InChI: InChI=1S/C18H6F5NO5S.C18H11NO5S.C17H19NO5S.C14H4F5NO5S.2C14H11NO5S.C13H6F3NO5S.C9H4F3NO5S.C7H6F3NO5S/c19-11-12(20)14(22)16(15(23)13(11)21)28-30(27)29-24-17(25)8-5-1-3-7-4-2-6-9(10(7)8)18(24)26;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;1-10-8-11(2)15(12(3)9-10)22-24(21)23-18-16(19)13-6-4-5-7-14(13)17(18)20;15-7-8(16)10(18)12(11(19)9(7)17)24-26(23)25-20-13(21)5-3-1-2-4-6(5)14(20)22;2*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;10-9(11,12)17-19(16)18-13-7(14)5-3-1-2-4-6(5)8(13)15;1-3-4(2)6(13)11(5(3)12)16-17(14)15-7(8,9)10/h1-6H;1-11H;8-9H,4-7H2,1-3H3;1-4H;2*3-8H,2H2,1H3;1-6H;1-4H;1-2H3
• InChIKey: HZWGYKVIIYFMLO-UHFFFAOYSA-N
• XLogP: 20.57
• TPSA: 656.19 Ų
• H-Bond Acceptors: 45
• Rotatable Bonds: 33
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3063.57
LogP ≤ 5	20.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	45

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'}

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-2,5-dioxopyrrol-1-yl) trifluoromethyl sulfite;bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxoisoindol-2-yl) trifluoromethyl sulfite;(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) (2,4,6-trimethylphenyl) sulfite?

The IUPAC name of (3,4-dimethyl-2,5-dioxopyrrol-1-yl) trifluoromethyl sulfite;bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxoisoindol-2-yl) trifluoromethyl sulfite;(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) (2,4,6-trimethylphenyl) sulfite (CID 158636787) is (3,4-dimethyl-2,5-dioxopyrrol-1-yl) trifluoromethyl sulfite;bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxoisoindol-2-yl) trifluoromethyl sulfite;(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) (2,4,6-trimethylphenyl) sulfite.

What is the SMILES notation for (3,4-dimethyl-2,5-dioxopyrrol-1-yl) trifluoromethyl sulfite;bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxoisoindol-2-yl) trifluoromethyl sulfite;(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) (2,4,6-trimethylphenyl) sulfite?

The canonical SMILES for (3,4-dimethyl-2,5-dioxopyrrol-1-yl) trifluoromethyl sulfite;bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxoisoindol-2-yl) trifluoromethyl sulfite;(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) (2,4,6-trimethylphenyl) sulfite is CC1=C(C)C(=O)N(OS(=O)OC(F)(F)F)C1=O.CCOS(=O)ON1C(=O)c2cccc3cccc(c23)C1=O.CCOS(=O)ON1C(=O)c2cccc3cccc(c23)C1=O.Cc1cc(C)c(OS(=O)ON2C(=O)C3=C(CCCC3)C2=O)c(C)c1.O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)OC(F)(F)F.O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)Oc1c(F)c(F)c(F)c(F)c1F.O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)Oc1ccccc1.O=C1c2ccccc2C(=O)N1OS(=O)OC(F)(F)F.O=C1c2ccccc2C(=O)N1OS(=O)Oc1c(F)c(F)c(F)c(F)c1F.

What is the InChIKey of (3,4-dimethyl-2,5-dioxopyrrol-1-yl) trifluoromethyl sulfite;bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxoisoindol-2-yl) trifluoromethyl sulfite;(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) (2,4,6-trimethylphenyl) sulfite?

The InChIKey is HZWGYKVIIYFMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6F5NO5S.C18H11NO5S.C17H19NO5S.C14H4F5NO5S.2C14H11NO5S.C13H6F3NO5S.C9H4F3NO5S.C7H6F3NO5S/c19-11-12(20)14(22)16(15(23)13(11)21)28-30(27)29-24-17(25)8-5-1-3-7-4-2-6-9(10(7)8)18(24)26;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;1-10-8-11(2)15(12(3)9-10)22-24(21)23-18-16(19)13-6-4-5-7-14(13)17(18)20;15-7-8(16)10(18)12(11(19)9(7)17)24-26(23)25-20-13(21)5-3-1-2-4-6(5)14(20)22;2*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;10-9(11,12)17-19(16)18-13-7(14)5-3-1-2-4-6(5)8(13)15;1-3-4(2)6(13)11(5(3)12)16-17(14)15-7(8,9)10/h1-6H;1-11H;8-9H,4-7H2,1-3H3;1-4H;2*3-8H,2H2,1H3;1-6H;1-4H;1-2H3.

What are the key properties of (3,4-dimethyl-2,5-dioxopyrrol-1-yl) trifluoromethyl sulfite;bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxoisoindol-2-yl) trifluoromethyl sulfite;(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) (2,4,6-trimethylphenyl) sulfite?

(3,4-dimethyl-2,5-dioxopyrrol-1-yl) trifluoromethyl sulfite;bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxoisoindol-2-yl) trifluoromethyl sulfite;(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) (2,4,6-trimethylphenyl) sulfite has a molecular weight of 3063.57 g/mol, XLogP of 20.57, 33 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (3,4-dimethyl-2,5-dioxopyrrol-1-yl) trifluoromethyl sulfite;bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxoisoindol-2-yl) trifluoromethyl sulfite;(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) (2,4,6-trimethylphenyl) sulfite is sourced from PubChem (CID 158636787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).