[4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-trimethoxysilane

C16H19FO5SSi — CID 90218085

IUPAC[4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-trimethoxysilane
SMILESCO[Si](OC)(OC)c1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H19FO5SSi/c1-20-24(21-2,22-3)16-10-4-13(5-11-16)12-23(18,19)15-8-6-14(17)7-9-15/h4-11H,12H2,1-3H3
InChIKeyRBTJQFBVKWFWKM-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.88
Rot. Bonds7

About [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-trimethoxysilane

[4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-trimethoxysilane (PubChem CID 90218085) has the molecular formula C16H19FO5SSi and a molecular weight of 370.47 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-trimethoxysilane.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-trimethoxysilane
PubChem CID90218085
Molecular FormulaC16H19FO5SSi
Molecular Weight370.47 g/mol
Exact Mass370.07
IUPAC Name[4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-trimethoxysilane
SMILESCO[Si](OC)(OC)c1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H19FO5SSi/c1-20-24(21-2,22-3)16-10-4-13(5-11-16)12-23(18,19)15-8-6-14(17)7-9-15/h4-11H,12H2,1-3H3
InChIKeyRBTJQFBVKWFWKM-UHFFFAOYSA-N
XLogP1.88
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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]-trimethoxysilane?
The IUPAC name of [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-trimethoxysilane (CID 90218085) is [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-trimethoxysilane.
What is the SMILES notation for [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-trimethoxysilane?
The canonical SMILES for [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-trimethoxysilane is CO[Si](OC)(OC)c1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-trimethoxysilane?
The InChIKey is RBTJQFBVKWFWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO5SSi/c1-20-24(21-2,22-3)16-10-4-13(5-11-16)12-23(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]-trimethoxysilane?
[4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-trimethoxysilane has a molecular weight of 370.47 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)sulfonylmethyl]phenyl]-trimethoxysilane is sourced from PubChem (CID 90218085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).