trifluoromethylsulfonyl-[4-(2-trimethoxysilylethyl)phenyl]sulfonylazanide

C12H17F3NO7S2Si- — CID 102285353

IUPACtrifluoromethylsulfonyl-[4-(2-trimethoxysilylethyl)phenyl]sulfonylazanide
SMILESCO[Si](CCc1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1)(OC)OC
InChIInChI=1S/C12H17F3NO7S2Si/c1-21-26(22-2,23-3)9-8-10-4-6-11(7-5-10)24(17,18)16-25(19,20)12(13,14)15/h4-7H,8-9H2,1-3H3/q-1
InChIKeyGPGNBBYBRYKNAS-UHFFFAOYSA-N
MW436.48 g/mol
LogP2.02
Rot. Bonds9

About trifluoromethylsulfonyl-[4-(2-trimethoxysilylethyl)phenyl]sulfonylazanide

trifluoromethylsulfonyl-[4-(2-trimethoxysilylethyl)phenyl]sulfonylazanide (PubChem CID 102285353) has the molecular formula C12H17F3NO7S2Si- and a molecular weight of 436.48 g/mol. Its IUPAC name is trifluoromethylsulfonyl-[4-(2-trimethoxysilylethyl)phenyl]sulfonylazanide.

Molecular Properties

Compound Nametrifluoromethylsulfonyl-[4-(2-trimethoxysilylethyl)phenyl]sulfonylazanide
PubChem CID102285353
Molecular FormulaC12H17F3NO7S2Si-
Molecular Weight436.48 g/mol
Exact Mass436.02
IUPAC Nametrifluoromethylsulfonyl-[4-(2-trimethoxysilylethyl)phenyl]sulfonylazanide
SMILESCO[Si](CCc1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1)(OC)OC
InChIInChI=1S/C12H17F3NO7S2Si/c1-21-26(22-2,23-3)9-8-10-4-6-11(7-5-10)24(17,18)16-25(19,20)12(13,14)15/h4-7H,8-9H2,1-3H3/q-1
InChIKeyGPGNBBYBRYKNAS-UHFFFAOYSA-N
XLogP2.02
TPSA110.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 trifluoromethylsulfonyl-[4-(2-trimethoxysilylethyl)phenyl]sulfonylazanide?
The IUPAC name of trifluoromethylsulfonyl-[4-(2-trimethoxysilylethyl)phenyl]sulfonylazanide (CID 102285353) is trifluoromethylsulfonyl-[4-(2-trimethoxysilylethyl)phenyl]sulfonylazanide.
What is the SMILES notation for trifluoromethylsulfonyl-[4-(2-trimethoxysilylethyl)phenyl]sulfonylazanide?
The canonical SMILES for trifluoromethylsulfonyl-[4-(2-trimethoxysilylethyl)phenyl]sulfonylazanide is CO[Si](CCc1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1)(OC)OC.
What is the InChIKey of trifluoromethylsulfonyl-[4-(2-trimethoxysilylethyl)phenyl]sulfonylazanide?
The InChIKey is GPGNBBYBRYKNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3NO7S2Si/c1-21-26(22-2,23-3)9-8-10-4-6-11(7-5-10)24(17,18)16-25(19,20)12(13,14)15/h4-7H,8-9H2,1-3H3/q-1.
What are the key properties of trifluoromethylsulfonyl-[4-(2-trimethoxysilylethyl)phenyl]sulfonylazanide?
trifluoromethylsulfonyl-[4-(2-trimethoxysilylethyl)phenyl]sulfonylazanide has a molecular weight of 436.48 g/mol, XLogP of 2.02, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylsulfonyl-[4-(2-trimethoxysilylethyl)phenyl]sulfonylazanide is sourced from PubChem (CID 102285353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).