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

C15H26ClNO4SSi2 — CID 91696565

IUPACN-(4-chlorophenyl)sulfonyl-N-trimethylsilyl-2-trimethylsilyloxypropanamide
SMILESCC(O[Si](C)(C)C)C(=O)N([Si](C)(C)C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H26ClNO4SSi2/c1-12(21-24(5,6)7)15(18)17(23(2,3)4)22(19,20)14-10-8-13(16)9-11-14/h8-12H,1-7H3
InChIKeyQAPYGPHHUFJLDR-UHFFFAOYSA-N
MW408.07 g/mol
LogP3.93
Rot. Bonds6

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

N-(4-chlorophenyl)sulfonyl-N-trimethylsilyl-2-trimethylsilyloxypropanamide (PubChem CID 91696565) has the molecular formula C15H26ClNO4SSi2 and a molecular weight of 408.07 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-N-trimethylsilyl-2-trimethylsilyloxypropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-N-trimethylsilyl-2-trimethylsilyloxypropanamide
PubChem CID91696565
Molecular FormulaC15H26ClNO4SSi2
Molecular Weight408.07 g/mol
Exact Mass407.08
IUPAC NameN-(4-chlorophenyl)sulfonyl-N-trimethylsilyl-2-trimethylsilyloxypropanamide
SMILESCC(O[Si](C)(C)C)C(=O)N([Si](C)(C)C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H26ClNO4SSi2/c1-12(21-24(5,6)7)15(18)17(23(2,3)4)22(19,20)14-10-8-13(16)9-11-14/h8-12H,1-7H3
InChIKeyQAPYGPHHUFJLDR-UHFFFAOYSA-N
XLogP3.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.07
LogP ≤ 53.93
H-Bond Donors ≤ 50
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-N-trimethylsilyl-2-trimethylsilyloxypropanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-N-trimethylsilyl-2-trimethylsilyloxypropanamide (CID 91696565) is N-(4-chlorophenyl)sulfonyl-N-trimethylsilyl-2-trimethylsilyloxypropanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-N-trimethylsilyl-2-trimethylsilyloxypropanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-N-trimethylsilyl-2-trimethylsilyloxypropanamide is CC(O[Si](C)(C)C)C(=O)N([Si](C)(C)C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-N-trimethylsilyl-2-trimethylsilyloxypropanamide?
The InChIKey is QAPYGPHHUFJLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO4SSi2/c1-12(21-24(5,6)7)15(18)17(23(2,3)4)22(19,20)14-10-8-13(16)9-11-14/h8-12H,1-7H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-N-trimethylsilyl-2-trimethylsilyloxypropanamide?
N-(4-chlorophenyl)sulfonyl-N-trimethylsilyl-2-trimethylsilyloxypropanamide has a molecular weight of 408.07 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-N-trimethylsilyl-2-trimethylsilyloxypropanamide is sourced from PubChem (CID 91696565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).