2-(benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one

C18H20O3SSi — CID 100933067

IUPAC2-(benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one
SMILESC[Si](C)(C)C1C(=O)C1(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20O3SSi/c1-23(2,3)17-16(19)18(17,14-10-6-4-7-11-14)22(20,21)15-12-8-5-9-13-15/h4-13,17H,1-3H3
InChIKeyDWFXTAGHODDCTN-UHFFFAOYSA-N
MW344.51 g/mol
LogP3.65
Rot. Bonds4

About 2-(benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one

2-(benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one (PubChem CID 100933067) has the molecular formula C18H20O3SSi and a molecular weight of 344.51 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one
PubChem CID100933067
Molecular FormulaC18H20O3SSi
Molecular Weight344.51 g/mol
Exact Mass344.09
IUPAC Name2-(benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one
SMILESC[Si](C)(C)C1C(=O)C1(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20O3SSi/c1-23(2,3)17-16(19)18(17,14-10-6-4-7-11-14)22(20,21)15-12-8-5-9-13-15/h4-13,17H,1-3H3
InChIKeyDWFXTAGHODDCTN-UHFFFAOYSA-N
XLogP3.65
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 53.65
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-(benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one?
The IUPAC name of 2-(benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one (CID 100933067) is 2-(benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one.
What is the SMILES notation for 2-(benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one?
The canonical SMILES for 2-(benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one is C[Si](C)(C)C1C(=O)C1(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one?
The InChIKey is DWFXTAGHODDCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3SSi/c1-23(2,3)17-16(19)18(17,14-10-6-4-7-11-14)22(20,21)15-12-8-5-9-13-15/h4-13,17H,1-3H3.
What are the key properties of 2-(benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one?
2-(benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one has a molecular weight of 344.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-phenyl-3-trimethylsilylcyclopropan-1-one is sourced from PubChem (CID 100933067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).