1-methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione

C29H23N3O4S — CID 11081769

IUPAC1-methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione
SMILESCc1ccc(S(=O)(=O)n2cc(C3=C(c4cn(C)c5ccccc45)C(=O)N(C)C3=O)c3ccccc32)cc1
InChIInChI=1S/C29H23N3O4S/c1-18-12-14-19(15-13-18)37(35,36)32-17-23(21-9-5-7-11-25(21)32)27-26(28(33)31(3)29(27)34)22-16-30(2)24-10-6-4-8-20(22)24/h4-17H,1-3H3
InChIKeyHEOWOWVIUUBVTP-UHFFFAOYSA-N
MW509.59 g/mol
LogP4.59
Rot. Bonds4

About 1-methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione

1-methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione (PubChem CID 11081769) has the molecular formula C29H23N3O4S and a molecular weight of 509.59 g/mol. Its IUPAC name is 1-methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione
PubChem CID11081769
Molecular FormulaC29H23N3O4S
Molecular Weight509.59 g/mol
Exact Mass509.14
IUPAC Name1-methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione
SMILESCc1ccc(S(=O)(=O)n2cc(C3=C(c4cn(C)c5ccccc45)C(=O)N(C)C3=O)c3ccccc32)cc1
InChIInChI=1S/C29H23N3O4S/c1-18-12-14-19(15-13-18)37(35,36)32-17-23(21-9-5-7-11-25(21)32)27-26(28(33)31(3)29(27)34)22-16-30(2)24-10-6-4-8-20(22)24/h4-17H,1-3H3
InChIKeyHEOWOWVIUUBVTP-UHFFFAOYSA-N
XLogP4.59
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.59
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 1-methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione (CID 11081769) is 1-methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione is Cc1ccc(S(=O)(=O)n2cc(C3=C(c4cn(C)c5ccccc45)C(=O)N(C)C3=O)c3ccccc32)cc1.
What is the InChIKey of 1-methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione?
The InChIKey is HEOWOWVIUUBVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O4S/c1-18-12-14-19(15-13-18)37(35,36)32-17-23(21-9-5-7-11-25(21)32)27-26(28(33)31(3)29(27)34)22-16-30(2)24-10-6-4-8-20(22)24/h4-17H,1-3H3.
What are the key properties of 1-methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione?
1-methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione has a molecular weight of 509.59 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylindol-3-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 11081769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).