4-methyl-N-(2-tributylsilyloxyethyl)benzenesulfonamide

C21H39NO3SSi — CID 134875478

IUPAC4-methyl-N-(2-tributylsilyloxyethyl)benzenesulfonamide
SMILESCCCC[Si](CCCC)(CCCC)OCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H39NO3SSi/c1-5-8-17-27(18-9-6-2,19-10-7-3)25-16-15-22-26(23,24)21-13-11-20(4)12-14-21/h11-14,22H,5-10,15-19H2,1-4H3
InChIKeyXVMSUCZWGYLCAU-UHFFFAOYSA-N
MW413.70 g/mol
LogP5.64
Rot. Bonds15

About 4-methyl-N-(2-tributylsilyloxyethyl)benzenesulfonamide

4-methyl-N-(2-tributylsilyloxyethyl)benzenesulfonamide (PubChem CID 134875478) has the molecular formula C21H39NO3SSi and a molecular weight of 413.70 g/mol. Its IUPAC name is 4-methyl-N-(2-tributylsilyloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-tributylsilyloxyethyl)benzenesulfonamide
PubChem CID134875478
Molecular FormulaC21H39NO3SSi
Molecular Weight413.70 g/mol
Exact Mass413.24
IUPAC Name4-methyl-N-(2-tributylsilyloxyethyl)benzenesulfonamide
SMILESCCCC[Si](CCCC)(CCCC)OCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H39NO3SSi/c1-5-8-17-27(18-9-6-2,19-10-7-3)25-16-15-22-26(23,24)21-13-11-20(4)12-14-21/h11-14,22H,5-10,15-19H2,1-4H3
InChIKeyXVMSUCZWGYLCAU-UHFFFAOYSA-N
XLogP5.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.70
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Butyl-p-toluenesulfonamide
CID 61285
p-Toluenesulfonamide, N-isobutyl-
CID 101310
N-(2-Hydroxyethyl)-4-methylbenzenesulfonamide
CID 1895595
N-(1-(Hydroxymethyl)propyl)-4-methylbenzenesulfonamide
CID 3692570
N-(3-methoxypropyl)-4-methylbenzenesulfonamide
CID 1728149
N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 3819693
N-(2-hydroxypropyl)-4-methylbenzenesulfonamide
CID 3136025
4-Methyl-N-(5-methylhexa-3,4-dien-1-yl)benzene-1-sulfonamide
CID 15638959
N-Tetradecyl-p-toluenesulphonamide
CID 71067
N-Dodecyl-p-toluenesulphonamide
CID 74216
N-Octadecyl-p-toluenesulphonamide
CID 87082
4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide
CID 2200496

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-tributylsilyloxyethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-tributylsilyloxyethyl)benzenesulfonamide (CID 134875478) is 4-methyl-N-(2-tributylsilyloxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-tributylsilyloxyethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-tributylsilyloxyethyl)benzenesulfonamide is CCCC[Si](CCCC)(CCCC)OCCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2-tributylsilyloxyethyl)benzenesulfonamide?
The InChIKey is XVMSUCZWGYLCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO3SSi/c1-5-8-17-27(18-9-6-2,19-10-7-3)25-16-15-22-26(23,24)21-13-11-20(4)12-14-21/h11-14,22H,5-10,15-19H2,1-4H3.
What are the key properties of 4-methyl-N-(2-tributylsilyloxyethyl)benzenesulfonamide?
4-methyl-N-(2-tributylsilyloxyethyl)benzenesulfonamide has a molecular weight of 413.70 g/mol, XLogP of 5.64, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-tributylsilyloxyethyl)benzenesulfonamide is sourced from PubChem (CID 134875478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).