4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)

C156H107N17O36S4 — CID 159141742

IUPAC4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)
SMILESCCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ccccc3S(=O)(=O)O)C4=O)cc2C1=O.CCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccc(S(=O)(=O)O)cc3)C4=O)cc2C1=O.CCN1C(=O)c2ccc(NC(=O)Nc3cccc(S(=O)(=O)O)c3)cc2C1=O.CCn1c(=O)c2cc3c(=O)n(-c4ccccc4S(=O)(=O)O)c(=O)c3cc2c1=O.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21
InChIInChI=1S/C25H16N2O8S.C24H16N2O7S.C18H12N2O7S.4C18H12N2O2.C17H15N3O6S/c1-2-26-22(29)17-9-3-13(11-19(17)23(26)30)21(28)14-4-10-18-20(12-14)25(32)27(24(18)31)15-5-7-16(8-6-15)36(33,34)35;1-2-25-21(27)15-9-7-13(11-17(15)22(25)28)14-8-10-16-18(12-14)24(30)26(23(16)29)19-5-3-4-6-20(19)34(31,32)33;1-2-19-15(21)9-7-11-12(8-10(9)16(19)22)18(24)20(17(11)23)13-5-3-4-6-14(13)28(25,26)27;4*21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11;1-2-20-15(21)13-7-6-11(9-14(13)16(20)22)19-17(23)18-10-4-3-5-12(8-10)27(24,25)26/h3-12H,2H2,1H3,(H,33,34,35);3-12H,2H2,1H3,(H,31,32,33);3-8H,2H2,1H3,(H,25,26,27);4*1-10,19,22H;3-9H,2H2,1H3,(H2,18,19,23)(H,24,25,26)
InChIKeyKTSLUTQLCWFVED-UHFFFAOYSA-N
MW2923.92 g/mol
LogP21.47
Rot. Bonds24

About 4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)

4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one) (PubChem CID 159141742) has the molecular formula C156H107N17O36S4 and a molecular weight of 2923.92 g/mol. Its IUPAC name is 4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one).

Molecular Properties

Compound Name4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)
PubChem CID159141742
Molecular FormulaC156H107N17O36S4
Molecular Weight2923.92 g/mol
Exact Mass2921.59
IUPAC Name4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)
SMILESCCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ccccc3S(=O)(=O)O)C4=O)cc2C1=O.CCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccc(S(=O)(=O)O)cc3)C4=O)cc2C1=O.CCN1C(=O)c2ccc(NC(=O)Nc3cccc(S(=O)(=O)O)c3)cc2C1=O.CCn1c(=O)c2cc3c(=O)n(-c4ccccc4S(=O)(=O)O)c(=O)c3cc2c1=O.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21
InChIInChI=1S/C25H16N2O8S.C24H16N2O7S.C18H12N2O7S.4C18H12N2O2.C17H15N3O6S/c1-2-26-22(29)17-9-3-13(11-19(17)23(26)30)21(28)14-4-10-18-20(12-14)25(32)27(24(18)31)15-5-7-16(8-6-15)36(33,34)35;1-2-25-21(27)15-9-7-13(11-17(15)22(25)28)14-8-10-16-18(12-14)24(30)26(23(16)29)19-5-3-4-6-20(19)34(31,32)33;1-2-19-15(21)9-7-11-12(8-10(9)16(19)22)18(24)20(17(11)23)13-5-3-4-6-14(13)28(25,26)27;4*21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11;1-2-20-15(21)13-7-6-11(9-14(13)16(20)22)19-17(23)18-10-4-3-5-12(8-10)27(24,25)26/h3-12H,2H2,1H3,(H,33,34,35);3-12H,2H2,1H3,(H,31,32,33);3-8H,2H2,1H3,(H,25,26,27);4*1-10,19,22H;3-9H,2H2,1H3,(H2,18,19,23)(H,24,25,26)
InChIKeyKTSLUTQLCWFVED-UHFFFAOYSA-N
XLogP21.47
TPSA802.52 Ų
H-Bond Donors14
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002923.92
LogP ≤ 521.47
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)?
The IUPAC name of 4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one) (CID 159141742) is 4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one).
What is the SMILES notation for 4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)?
The canonical SMILES for 4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one) is CCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ccccc3S(=O)(=O)O)C4=O)cc2C1=O.CCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccc(S(=O)(=O)O)cc3)C4=O)cc2C1=O.CCN1C(=O)c2ccc(NC(=O)Nc3cccc(S(=O)(=O)O)c3)cc2C1=O.CCn1c(=O)c2cc3c(=O)n(-c4ccccc4S(=O)(=O)O)c(=O)c3cc2c1=O.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.
What is the InChIKey of 4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)?
The InChIKey is KTSLUTQLCWFVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O8S.C24H16N2O7S.C18H12N2O7S.4C18H12N2O2.C17H15N3O6S/c1-2-26-22(29)17-9-3-13(11-19(17)23(26)30)21(28)14-4-10-18-20(12-14)25(32)27(24(18)31)15-5-7-16(8-6-15)36(33,34)35;1-2-25-21(27)15-9-7-13(11-17(15)22(25)28)14-8-10-16-18(12-14)24(30)26(23(16)29)19-5-3-4-6-20(19)34(31,32)33;1-2-19-15(21)9-7-11-12(8-10(9)16(19)22)18(24)20(17(11)23)13-5-3-4-6-14(13)28(25,26)27;4*21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11;1-2-20-15(21)13-7-6-11(9-14(13)16(20)22)19-17(23)18-10-4-3-5-12(8-10)27(24,25)26/h3-12H,2H2,1H3,(H,33,34,35);3-12H,2H2,1H3,(H,31,32,33);3-8H,2H2,1H3,(H,25,26,27);4*1-10,19,22H;3-9H,2H2,1H3,(H2,18,19,23)(H,24,25,26).
What are the key properties of 4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)?
4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one) has a molecular weight of 2923.92 g/mol, XLogP of 21.47, 24 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;2-(6-ethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzenesulfonic acid;tetrakis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one) is sourced from PubChem (CID 159141742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).