[1-(benzenesulfonyl)-3-trimethylsilylpyrrolo[2,3-b]pyridin-2-yl]-(furan-2-yl)methanone

C21H20N2O4SSi — CID 135062555

IUPAC[1-(benzenesulfonyl)-3-trimethylsilylpyrrolo[2,3-b]pyridin-2-yl]-(furan-2-yl)methanone
SMILESC[Si](C)(C)c1c(C(=O)c2ccco2)n(S(=O)(=O)c2ccccc2)c2ncccc12
InChIInChI=1S/C21H20N2O4SSi/c1-29(2,3)20-16-11-7-13-22-21(16)23(18(20)19(24)17-12-8-14-27-17)28(25,26)15-9-5-4-6-10-15/h4-14H,1-3H3
InChIKeyWPHIVLIJDGXMEB-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.64
Rot. Bonds5

About [1-(benzenesulfonyl)-3-trimethylsilylpyrrolo[2,3-b]pyridin-2-yl]-(furan-2-yl)methanone

[1-(benzenesulfonyl)-3-trimethylsilylpyrrolo[2,3-b]pyridin-2-yl]-(furan-2-yl)methanone (PubChem CID 135062555) has the molecular formula C21H20N2O4SSi and a molecular weight of 424.55 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-3-trimethylsilylpyrrolo[2,3-b]pyridin-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-3-trimethylsilylpyrrolo[2,3-b]pyridin-2-yl]-(furan-2-yl)methanone
PubChem CID135062555
Molecular FormulaC21H20N2O4SSi
Molecular Weight424.55 g/mol
Exact Mass424.09
IUPAC Name[1-(benzenesulfonyl)-3-trimethylsilylpyrrolo[2,3-b]pyridin-2-yl]-(furan-2-yl)methanone
SMILESC[Si](C)(C)c1c(C(=O)c2ccco2)n(S(=O)(=O)c2ccccc2)c2ncccc12
InChIInChI=1S/C21H20N2O4SSi/c1-29(2,3)20-16-11-7-13-22-21(16)23(18(20)19(24)17-12-8-14-27-17)28(25,26)15-9-5-4-6-10-15/h4-14H,1-3H3
InChIKeyWPHIVLIJDGXMEB-UHFFFAOYSA-N
XLogP3.64
TPSA82.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 [1-(benzenesulfonyl)-3-trimethylsilylpyrrolo[2,3-b]pyridin-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [1-(benzenesulfonyl)-3-trimethylsilylpyrrolo[2,3-b]pyridin-2-yl]-(furan-2-yl)methanone (CID 135062555) is [1-(benzenesulfonyl)-3-trimethylsilylpyrrolo[2,3-b]pyridin-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-3-trimethylsilylpyrrolo[2,3-b]pyridin-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)-3-trimethylsilylpyrrolo[2,3-b]pyridin-2-yl]-(furan-2-yl)methanone is C[Si](C)(C)c1c(C(=O)c2ccco2)n(S(=O)(=O)c2ccccc2)c2ncccc12.
What is the InChIKey of [1-(benzenesulfonyl)-3-trimethylsilylpyrrolo[2,3-b]pyridin-2-yl]-(furan-2-yl)methanone?
The InChIKey is WPHIVLIJDGXMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4SSi/c1-29(2,3)20-16-11-7-13-22-21(16)23(18(20)19(24)17-12-8-14-27-17)28(25,26)15-9-5-4-6-10-15/h4-14H,1-3H3.
What are the key properties of [1-(benzenesulfonyl)-3-trimethylsilylpyrrolo[2,3-b]pyridin-2-yl]-(furan-2-yl)methanone?
[1-(benzenesulfonyl)-3-trimethylsilylpyrrolo[2,3-b]pyridin-2-yl]-(furan-2-yl)methanone has a molecular weight of 424.55 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-3-trimethylsilylpyrrolo[2,3-b]pyridin-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 135062555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).