N-(trifluoromethylsulfonyl)-4-(2-trimethoxysilylethyl)benzenesulfonamide

C12H18F3NO7S2Si — CID 102285354

IUPACN-(trifluoromethylsulfonyl)-4-(2-trimethoxysilylethyl)benzenesulfonamide
SMILESCO[Si](CCc1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)cc1)(OC)OC
InChIInChI=1S/C12H18F3NO7S2Si/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/h4-7,16H,8-9H2,1-3H3
InChIKeyPUIJAWAHRJJBFO-UHFFFAOYSA-N
MW437.49 g/mol
LogP1.24
Rot. Bonds9

About N-(trifluoromethylsulfonyl)-4-(2-trimethoxysilylethyl)benzenesulfonamide

N-(trifluoromethylsulfonyl)-4-(2-trimethoxysilylethyl)benzenesulfonamide (PubChem CID 102285354) has the molecular formula C12H18F3NO7S2Si and a molecular weight of 437.49 g/mol. Its IUPAC name is N-(trifluoromethylsulfonyl)-4-(2-trimethoxysilylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(trifluoromethylsulfonyl)-4-(2-trimethoxysilylethyl)benzenesulfonamide
PubChem CID102285354
Molecular FormulaC12H18F3NO7S2Si
Molecular Weight437.49 g/mol
Exact Mass437.02
IUPAC NameN-(trifluoromethylsulfonyl)-4-(2-trimethoxysilylethyl)benzenesulfonamide
SMILESCO[Si](CCc1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)cc1)(OC)OC
InChIInChI=1S/C12H18F3NO7S2Si/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/h4-7,16H,8-9H2,1-3H3
InChIKeyPUIJAWAHRJJBFO-UHFFFAOYSA-N
XLogP1.24
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 51.24
H-Bond Donors ≤ 51
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 N-(trifluoromethylsulfonyl)-4-(2-trimethoxysilylethyl)benzenesulfonamide?
The IUPAC name of N-(trifluoromethylsulfonyl)-4-(2-trimethoxysilylethyl)benzenesulfonamide (CID 102285354) is N-(trifluoromethylsulfonyl)-4-(2-trimethoxysilylethyl)benzenesulfonamide.
What is the SMILES notation for N-(trifluoromethylsulfonyl)-4-(2-trimethoxysilylethyl)benzenesulfonamide?
The canonical SMILES for N-(trifluoromethylsulfonyl)-4-(2-trimethoxysilylethyl)benzenesulfonamide is CO[Si](CCc1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)cc1)(OC)OC.
What is the InChIKey of N-(trifluoromethylsulfonyl)-4-(2-trimethoxysilylethyl)benzenesulfonamide?
The InChIKey is PUIJAWAHRJJBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO7S2Si/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/h4-7,16H,8-9H2,1-3H3.
What are the key properties of N-(trifluoromethylsulfonyl)-4-(2-trimethoxysilylethyl)benzenesulfonamide?
N-(trifluoromethylsulfonyl)-4-(2-trimethoxysilylethyl)benzenesulfonamide has a molecular weight of 437.49 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylsulfonyl)-4-(2-trimethoxysilylethyl)benzenesulfonamide is sourced from PubChem (CID 102285354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).