3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane

C9H13FO5SSi — CID 140697839

IUPAC3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane
SMILES[3H]O[Si](CCCS(=O)(=O)c1ccc(F)cc1)(O[3H])O[3H]
InChIInChI=1S/C9H13FO5SSi/c10-8-2-4-9(5-3-8)16(11,12)6-1-7-17(13,14)15/h2-5,13-15H,1,6-7H2/i13T,14T,15T
InChIKeyWEZPSUFHQOJMGH-MXCNDZKMSA-N
MW286.37 g/mol
LogP-0.09
Rot. Bonds8

About 3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane

3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane (PubChem CID 140697839) has the molecular formula C9H13FO5SSi and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane
PubChem CID140697839
Molecular FormulaC9H13FO5SSi
Molecular Weight286.37 g/mol
Exact Mass286.05
IUPAC Name3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane
SMILES[3H]O[Si](CCCS(=O)(=O)c1ccc(F)cc1)(O[3H])O[3H]
InChIInChI=1S/C9H13FO5SSi/c10-8-2-4-9(5-3-8)16(11,12)6-1-7-17(13,14)15/h2-5,13-15H,1,6-7H2/i13T,14T,15T
InChIKeyWEZPSUFHQOJMGH-MXCNDZKMSA-N
XLogP-0.09
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)sulfonylpentane-1-sulfonic acid
CID 123168445
4-(4-fluorophenyl)sulfonylbutan-1-amine
CID 28753396
3-(4-fluorophenyl)sulfonylpropanenitrile
CID 4739600
3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol
CID 70297599
3-[3-(4-fluorophenyl)sulfonylpropyl-methylamino]propanoic acid
CID 119911146
1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole
CID 138020578
N-[3-(4-fluorophenyl)sulfonylpropyl]-2-methylpropan-1-amine
CID 64639829
4-[3-(4-fluorophenyl)sulfonylpropoxy]aniline
CID 43444223
1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene
CID 64716694
1-(2-tert-butylsulfonylethylsulfonyl)-4-fluorobenzene
CID 103705360
N-[3-(4-fluorophenyl)sulfonylpropyl]-5-(hydroxymethyl)-4-methylpyridine-2-carboxamide
CID 166315629
2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine
CID 114015298

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane?
The IUPAC name of 3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane (CID 140697839) is 3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane?
The canonical SMILES for 3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane is [3H]O[Si](CCCS(=O)(=O)c1ccc(F)cc1)(O[3H])O[3H].
What is the InChIKey of 3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane?
The InChIKey is WEZPSUFHQOJMGH-MXCNDZKMSA-N. The full InChI is InChI=1S/C9H13FO5SSi/c10-8-2-4-9(5-3-8)16(11,12)6-1-7-17(13,14)15/h2-5,13-15H,1,6-7H2/i13T,14T,15T.
What are the key properties of 3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane?
3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane has a molecular weight of 286.37 g/mol, XLogP of -0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane is sourced from PubChem (CID 140697839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).