N,N-diethyl-2-sulfamoyl-6-(1-trimethylsilylethyl)benzamide

C16H28N2O3SSi — CID 14984036

IUPACN,N-diethyl-2-sulfamoyl-6-(1-trimethylsilylethyl)benzamide
SMILESCCN(CC)C(=O)c1c(C(C)[Si](C)(C)C)cccc1S(N)(=O)=O
InChIInChI=1S/C16H28N2O3SSi/c1-7-18(8-2)16(19)15-13(12(3)23(4,5)6)10-9-11-14(15)22(17,20)21/h9-12H,7-8H2,1-6H3,(H2,17,20,21)
InChIKeyFGQRELBMYAIRQL-UHFFFAOYSA-N
MW356.56 g/mol
LogP2.80
Rot. Bonds6

About N,N-diethyl-2-sulfamoyl-6-(1-trimethylsilylethyl)benzamide

N,N-diethyl-2-sulfamoyl-6-(1-trimethylsilylethyl)benzamide (PubChem CID 14984036) has the molecular formula C16H28N2O3SSi and a molecular weight of 356.56 g/mol. Its IUPAC name is N,N-diethyl-2-sulfamoyl-6-(1-trimethylsilylethyl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-sulfamoyl-6-(1-trimethylsilylethyl)benzamide
PubChem CID14984036
Molecular FormulaC16H28N2O3SSi
Molecular Weight356.56 g/mol
Exact Mass356.16
IUPAC NameN,N-diethyl-2-sulfamoyl-6-(1-trimethylsilylethyl)benzamide
SMILESCCN(CC)C(=O)c1c(C(C)[Si](C)(C)C)cccc1S(N)(=O)=O
InChIInChI=1S/C16H28N2O3SSi/c1-7-18(8-2)16(19)15-13(12(3)23(4,5)6)10-9-11-14(15)22(17,20)21/h9-12H,7-8H2,1-6H3,(H2,17,20,21)
InChIKeyFGQRELBMYAIRQL-UHFFFAOYSA-N
XLogP2.80
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,N-diethyl-2-sulfamoyl-6-(1-trimethylsilylethyl)benzamide?
The IUPAC name of N,N-diethyl-2-sulfamoyl-6-(1-trimethylsilylethyl)benzamide (CID 14984036) is N,N-diethyl-2-sulfamoyl-6-(1-trimethylsilylethyl)benzamide.
What is the SMILES notation for N,N-diethyl-2-sulfamoyl-6-(1-trimethylsilylethyl)benzamide?
The canonical SMILES for N,N-diethyl-2-sulfamoyl-6-(1-trimethylsilylethyl)benzamide is CCN(CC)C(=O)c1c(C(C)[Si](C)(C)C)cccc1S(N)(=O)=O.
What is the InChIKey of N,N-diethyl-2-sulfamoyl-6-(1-trimethylsilylethyl)benzamide?
The InChIKey is FGQRELBMYAIRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3SSi/c1-7-18(8-2)16(19)15-13(12(3)23(4,5)6)10-9-11-14(15)22(17,20)21/h9-12H,7-8H2,1-6H3,(H2,17,20,21).
What are the key properties of N,N-diethyl-2-sulfamoyl-6-(1-trimethylsilylethyl)benzamide?
N,N-diethyl-2-sulfamoyl-6-(1-trimethylsilylethyl)benzamide has a molecular weight of 356.56 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-sulfamoyl-6-(1-trimethylsilylethyl)benzamide is sourced from PubChem (CID 14984036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).