[4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane

C16H19FO4SSi — CID 90224541

IUPAC[4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane
SMILESCO[Si](C)(OC)c1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H19FO4SSi/c1-20-23(3,21-2)16-10-4-13(5-11-16)12-22(18,19)15-8-6-14(17)7-9-15/h4-11H,12H2,1-3H3
InChIKeyYQPIZOUKMOEODS-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.37
Rot. Bonds6

About [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane

[4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane (PubChem CID 90224541) has the molecular formula C16H19FO4SSi and a molecular weight of 354.48 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane
PubChem CID90224541
Molecular FormulaC16H19FO4SSi
Molecular Weight354.48 g/mol
Exact Mass354.08
IUPAC Name[4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane
SMILESCO[Si](C)(OC)c1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H19FO4SSi/c1-20-23(3,21-2)16-10-4-13(5-11-16)12-22(18,19)15-8-6-14(17)7-9-15/h4-11H,12H2,1-3H3
InChIKeyYQPIZOUKMOEODS-UHFFFAOYSA-N
XLogP2.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane?
The IUPAC name of [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane (CID 90224541) is [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane.
What is the SMILES notation for [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane?
The canonical SMILES for [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane is CO[Si](C)(OC)c1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane?
The InChIKey is YQPIZOUKMOEODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO4SSi/c1-20-23(3,21-2)16-10-4-13(5-11-16)12-22(18,19)15-8-6-14(17)7-9-15/h4-11H,12H2,1-3H3.
What are the key properties of [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane?
[4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane has a molecular weight of 354.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane is sourced from PubChem (CID 90224541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).