2-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one

C20H29NO3SSi2 — CID 71603287

IUPAC2-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)N2CC3=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C3C2)cc1
InChIInChI=1S/C20H29NO3SSi2/c1-14-8-10-15(11-9-14)25(23,24)21-12-16-17(13-21)20(27(5,6)7)18(22)19(16)26(2,3)4/h8-11H,12-13H2,1-7H3
InChIKeyZGZKFBHGNROYBP-UHFFFAOYSA-N
MW419.70 g/mol
LogP3.93
Rot. Bonds4

About 2-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one

2-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one (PubChem CID 71603287) has the molecular formula C20H29NO3SSi2 and a molecular weight of 419.70 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one
PubChem CID71603287
Molecular FormulaC20H29NO3SSi2
Molecular Weight419.70 g/mol
Exact Mass419.14
IUPAC Name2-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)N2CC3=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C3C2)cc1
InChIInChI=1S/C20H29NO3SSi2/c1-14-8-10-15(11-9-14)25(23,24)21-12-16-17(13-21)20(27(5,6)7)18(22)19(16)26(2,3)4/h8-11H,12-13H2,1-7H3
InChIKeyZGZKFBHGNROYBP-UHFFFAOYSA-N
XLogP3.93
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.70
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one (CID 71603287) is 2-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one is Cc1ccc(S(=O)(=O)N2CC3=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C3C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one?
The InChIKey is ZGZKFBHGNROYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3SSi2/c1-14-8-10-15(11-9-14)25(23,24)21-12-16-17(13-21)20(27(5,6)7)18(22)19(16)26(2,3)4/h8-11H,12-13H2,1-7H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one?
2-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one has a molecular weight of 419.70 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one is sourced from PubChem (CID 71603287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).