N-(4-chlorophenyl)sulfonyl-2-trimethylsilyloxypropanamide

C12H18ClNO4SSi — CID 91709813

IUPACN-(4-chlorophenyl)sulfonyl-2-trimethylsilyloxypropanamide
SMILESCC(O[Si](C)(C)C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO4SSi/c1-9(18-20(2,3)4)12(15)14-19(16,17)11-7-5-10(13)6-8-11/h5-9H,1-4H3,(H,14,15)
InChIKeyUHWOMDGGEPNRPQ-UHFFFAOYSA-N
MW335.89 g/mol
LogP2.38
Rot. Bonds5

About N-(4-chlorophenyl)sulfonyl-2-trimethylsilyloxypropanamide

N-(4-chlorophenyl)sulfonyl-2-trimethylsilyloxypropanamide (PubChem CID 91709813) has the molecular formula C12H18ClNO4SSi and a molecular weight of 335.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2-trimethylsilyloxypropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2-trimethylsilyloxypropanamide
PubChem CID91709813
Molecular FormulaC12H18ClNO4SSi
Molecular Weight335.89 g/mol
Exact Mass335.04
IUPAC NameN-(4-chlorophenyl)sulfonyl-2-trimethylsilyloxypropanamide
SMILESCC(O[Si](C)(C)C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO4SSi/c1-9(18-20(2,3)4)12(15)14-19(16,17)11-7-5-10(13)6-8-11/h5-9H,1-4H3,(H,14,15)
InChIKeyUHWOMDGGEPNRPQ-UHFFFAOYSA-N
XLogP2.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.89
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-chlorophenyl)sulfonyl-2-trimethylsilyloxypropanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2-trimethylsilyloxypropanamide (CID 91709813) is N-(4-chlorophenyl)sulfonyl-2-trimethylsilyloxypropanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2-trimethylsilyloxypropanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2-trimethylsilyloxypropanamide is CC(O[Si](C)(C)C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2-trimethylsilyloxypropanamide?
The InChIKey is UHWOMDGGEPNRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO4SSi/c1-9(18-20(2,3)4)12(15)14-19(16,17)11-7-5-10(13)6-8-11/h5-9H,1-4H3,(H,14,15).
What are the key properties of N-(4-chlorophenyl)sulfonyl-2-trimethylsilyloxypropanamide?
N-(4-chlorophenyl)sulfonyl-2-trimethylsilyloxypropanamide has a molecular weight of 335.89 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-2-trimethylsilyloxypropanamide is sourced from PubChem (CID 91709813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).