3-[4-[(4-fluorophenyl)sulfonylmethyl]phenoxy]propyl-trimethoxysilane

C19H25FO6SSi — CID 90226840

IUPAC3-[4-[(4-fluorophenyl)sulfonylmethyl]phenoxy]propyl-trimethoxysilane
SMILESCO[Si](CCCOc1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1)(OC)OC
InChIInChI=1S/C19H25FO6SSi/c1-23-28(24-2,25-3)14-4-13-26-18-9-5-16(6-10-18)15-27(21,22)19-11-7-17(20)8-12-19/h5-12H,4,13-15H2,1-3H3
InChIKeyOYQYKOHZCWVRQX-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.45
Rot. Bonds11

About 3-[4-[(4-fluorophenyl)sulfonylmethyl]phenoxy]propyl-trimethoxysilane

3-[4-[(4-fluorophenyl)sulfonylmethyl]phenoxy]propyl-trimethoxysilane (PubChem CID 90226840) has the molecular formula C19H25FO6SSi and a molecular weight of 428.55 g/mol. Its IUPAC name is 3-[4-[(4-fluorophenyl)sulfonylmethyl]phenoxy]propyl-trimethoxysilane.

Molecular Properties

Compound Name3-[4-[(4-fluorophenyl)sulfonylmethyl]phenoxy]propyl-trimethoxysilane
PubChem CID90226840
Molecular FormulaC19H25FO6SSi
Molecular Weight428.55 g/mol
Exact Mass428.11
IUPAC Name3-[4-[(4-fluorophenyl)sulfonylmethyl]phenoxy]propyl-trimethoxysilane
SMILESCO[Si](CCCOc1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1)(OC)OC
InChIInChI=1S/C19H25FO6SSi/c1-23-28(24-2,25-3)14-4-13-26-18-9-5-16(6-10-18)15-27(21,22)19-11-7-17(20)8-12-19/h5-12H,4,13-15H2,1-3H3
InChIKeyOYQYKOHZCWVRQX-UHFFFAOYSA-N
XLogP3.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-fluorophenyl)sulfonylmethyl]phenoxy]propyl-trimethoxysilane?
The IUPAC name of 3-[4-[(4-fluorophenyl)sulfonylmethyl]phenoxy]propyl-trimethoxysilane (CID 90226840) is 3-[4-[(4-fluorophenyl)sulfonylmethyl]phenoxy]propyl-trimethoxysilane.
What is the SMILES notation for 3-[4-[(4-fluorophenyl)sulfonylmethyl]phenoxy]propyl-trimethoxysilane?
The canonical SMILES for 3-[4-[(4-fluorophenyl)sulfonylmethyl]phenoxy]propyl-trimethoxysilane is CO[Si](CCCOc1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1)(OC)OC.
What is the InChIKey of 3-[4-[(4-fluorophenyl)sulfonylmethyl]phenoxy]propyl-trimethoxysilane?
The InChIKey is OYQYKOHZCWVRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FO6SSi/c1-23-28(24-2,25-3)14-4-13-26-18-9-5-16(6-10-18)15-27(21,22)19-11-7-17(20)8-12-19/h5-12H,4,13-15H2,1-3H3.
What are the key properties of 3-[4-[(4-fluorophenyl)sulfonylmethyl]phenoxy]propyl-trimethoxysilane?
3-[4-[(4-fluorophenyl)sulfonylmethyl]phenoxy]propyl-trimethoxysilane has a molecular weight of 428.55 g/mol, XLogP of 3.45, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-fluorophenyl)sulfonylmethyl]phenoxy]propyl-trimethoxysilane is sourced from PubChem (CID 90226840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).