2,7-bis-(4-methylphenyl)sulfonyl-1,3,6,8-tetrahydropyrrolo[3,4-e]isoindole

C24H24N2O4S2 — CID 11059719

IUPAC2,7-bis-(4-methylphenyl)sulfonyl-1,3,6,8-tetrahydropyrrolo[3,4-e]isoindole
SMILESCc1ccc(S(=O)(=O)N2Cc3ccc4c(c3C2)CN(S(=O)(=O)c2ccc(C)cc2)C4)cc1
InChIInChI=1S/C24H24N2O4S2/c1-17-3-9-21(10-4-17)31(27,28)25-13-19-7-8-20-14-26(16-24(20)23(19)15-25)32(29,30)22-11-5-18(2)6-12-22/h3-12H,13-16H2,1-2H3
InChIKeyXZTLGNCVNSCIPX-UHFFFAOYSA-N
MW468.60 g/mol
LogP3.71
Rot. Bonds4

About 2,7-bis-(4-methylphenyl)sulfonyl-1,3,6,8-tetrahydropyrrolo[3,4-e]isoindole

2,7-bis-(4-methylphenyl)sulfonyl-1,3,6,8-tetrahydropyrrolo[3,4-e]isoindole (PubChem CID 11059719) has the molecular formula C24H24N2O4S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2,7-bis-(4-methylphenyl)sulfonyl-1,3,6,8-tetrahydropyrrolo[3,4-e]isoindole.

Molecular Properties

Compound Name2,7-bis-(4-methylphenyl)sulfonyl-1,3,6,8-tetrahydropyrrolo[3,4-e]isoindole
PubChem CID11059719
Molecular FormulaC24H24N2O4S2
Molecular Weight468.60 g/mol
Exact Mass468.12
IUPAC Name2,7-bis-(4-methylphenyl)sulfonyl-1,3,6,8-tetrahydropyrrolo[3,4-e]isoindole
SMILESCc1ccc(S(=O)(=O)N2Cc3ccc4c(c3C2)CN(S(=O)(=O)c2ccc(C)cc2)C4)cc1
InChIInChI=1S/C24H24N2O4S2/c1-17-3-9-21(10-4-17)31(27,28)25-13-19-7-8-20-14-26(16-24(20)23(19)15-25)32(29,30)22-11-5-18(2)6-12-22/h3-12H,13-16H2,1-2H3
InChIKeyXZTLGNCVNSCIPX-UHFFFAOYSA-N
XLogP3.71
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis-(4-methylphenyl)sulfonyl-1,3,6,8-tetrahydropyrrolo[3,4-e]isoindole?
The IUPAC name of 2,7-bis-(4-methylphenyl)sulfonyl-1,3,6,8-tetrahydropyrrolo[3,4-e]isoindole (CID 11059719) is 2,7-bis-(4-methylphenyl)sulfonyl-1,3,6,8-tetrahydropyrrolo[3,4-e]isoindole.
What is the SMILES notation for 2,7-bis-(4-methylphenyl)sulfonyl-1,3,6,8-tetrahydropyrrolo[3,4-e]isoindole?
The canonical SMILES for 2,7-bis-(4-methylphenyl)sulfonyl-1,3,6,8-tetrahydropyrrolo[3,4-e]isoindole is Cc1ccc(S(=O)(=O)N2Cc3ccc4c(c3C2)CN(S(=O)(=O)c2ccc(C)cc2)C4)cc1.
What is the InChIKey of 2,7-bis-(4-methylphenyl)sulfonyl-1,3,6,8-tetrahydropyrrolo[3,4-e]isoindole?
The InChIKey is XZTLGNCVNSCIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S2/c1-17-3-9-21(10-4-17)31(27,28)25-13-19-7-8-20-14-26(16-24(20)23(19)15-25)32(29,30)22-11-5-18(2)6-12-22/h3-12H,13-16H2,1-2H3.
What are the key properties of 2,7-bis-(4-methylphenyl)sulfonyl-1,3,6,8-tetrahydropyrrolo[3,4-e]isoindole?
2,7-bis-(4-methylphenyl)sulfonyl-1,3,6,8-tetrahydropyrrolo[3,4-e]isoindole has a molecular weight of 468.60 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis-(4-methylphenyl)sulfonyl-1,3,6,8-tetrahydropyrrolo[3,4-e]isoindole is sourced from PubChem (CID 11059719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).