N-(1-trimethoxysilylpropyl)benzenesulfonamide

C12H21NO5SSi — CID 71086779

IUPACN-(1-trimethoxysilylpropyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccccc1)[Si](OC)(OC)OC
InChIInChI=1S/C12H21NO5SSi/c1-5-12(20(16-2,17-3)18-4)13-19(14,15)11-9-7-6-8-10-11/h6-10,12-13H,5H2,1-4H3
InChIKeyVIAOMXFIBLGPHJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.16
Rot. Bonds8

About N-(1-trimethoxysilylpropyl)benzenesulfonamide

N-(1-trimethoxysilylpropyl)benzenesulfonamide (PubChem CID 71086779) has the molecular formula C12H21NO5SSi and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(1-trimethoxysilylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-trimethoxysilylpropyl)benzenesulfonamide
PubChem CID71086779
Molecular FormulaC12H21NO5SSi
Molecular Weight319.45 g/mol
Exact Mass319.09
IUPAC NameN-(1-trimethoxysilylpropyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccccc1)[Si](OC)(OC)OC
InChIInChI=1S/C12H21NO5SSi/c1-5-12(20(16-2,17-3)18-4)13-19(14,15)11-9-7-6-8-10-11/h6-10,12-13H,5H2,1-4H3
InChIKeyVIAOMXFIBLGPHJ-UHFFFAOYSA-N
XLogP1.16
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-Butylbenzenesulfonamide
CID 19241
N-Ethylbenzenesulfonamide
CID 79279
N-(2-aminoethyl)benzenesulfonamide
CID 12841745
n-Allylbenzenesulfonamide
CID 257467
N-Ethyl-4-fluorobenzenesulfonamide
CID 565733
N-pentan-2-ylbenzenesulfonamide
CID 653062
N-(1-Methylpropyl)benzenesulfonamide
CID 211877
N-(3-methoxypropyl)benzenesulfonamide
CID 1722518
N-(2-methoxyethyl)benzenesulfonamide
CID 3136232
N-(3-ethoxypropyl)benzenesulfonamide
CID 2172319
n-Isopropylbenzenesulfonamide
CID 220600
N-propylbenzenesulfonamide
CID 2165127

Frequently Asked Questions

What is the IUPAC name of N-(1-trimethoxysilylpropyl)benzenesulfonamide?
The IUPAC name of N-(1-trimethoxysilylpropyl)benzenesulfonamide (CID 71086779) is N-(1-trimethoxysilylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(1-trimethoxysilylpropyl)benzenesulfonamide?
The canonical SMILES for N-(1-trimethoxysilylpropyl)benzenesulfonamide is CCC(NS(=O)(=O)c1ccccc1)[Si](OC)(OC)OC.
What is the InChIKey of N-(1-trimethoxysilylpropyl)benzenesulfonamide?
The InChIKey is VIAOMXFIBLGPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5SSi/c1-5-12(20(16-2,17-3)18-4)13-19(14,15)11-9-7-6-8-10-11/h6-10,12-13H,5H2,1-4H3.
What are the key properties of N-(1-trimethoxysilylpropyl)benzenesulfonamide?
N-(1-trimethoxysilylpropyl)benzenesulfonamide has a molecular weight of 319.45 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-trimethoxysilylpropyl)benzenesulfonamide is sourced from PubChem (CID 71086779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).