[4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate

C16H22N2O6S2Si — CID 90670787

IUPAC[4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate
SMILESCC[Si](CC)(c1ccc(OS(N)(=O)=O)cc1)c1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C16H22N2O6S2Si/c1-3-27(4-2,15-9-5-13(6-10-15)23-25(17,19)20)16-11-7-14(8-12-16)24-26(18,21)22/h5-12H,3-4H2,1-2H3,(H2,17,19,20)(H2,18,21,22)
InChIKeyBUHVJMNLMUREES-UHFFFAOYSA-N
MW430.58 g/mol
LogP0.45
Rot. Bonds8

About [4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate

[4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate (PubChem CID 90670787) has the molecular formula C16H22N2O6S2Si and a molecular weight of 430.58 g/mol. Its IUPAC name is [4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate
PubChem CID90670787
Molecular FormulaC16H22N2O6S2Si
Molecular Weight430.58 g/mol
Exact Mass430.07
IUPAC Name[4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate
SMILESCC[Si](CC)(c1ccc(OS(N)(=O)=O)cc1)c1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C16H22N2O6S2Si/c1-3-27(4-2,15-9-5-13(6-10-15)23-25(17,19)20)16-11-7-14(8-12-16)24-26(18,21)22/h5-12H,3-4H2,1-2H3,(H2,17,19,20)(H2,18,21,22)
InChIKeyBUHVJMNLMUREES-UHFFFAOYSA-N
XLogP0.45
TPSA138.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate?
The IUPAC name of [4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate (CID 90670787) is [4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate.
What is the SMILES notation for [4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate?
The canonical SMILES for [4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate is CC[Si](CC)(c1ccc(OS(N)(=O)=O)cc1)c1ccc(OS(N)(=O)=O)cc1.
What is the InChIKey of [4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate?
The InChIKey is BUHVJMNLMUREES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S2Si/c1-3-27(4-2,15-9-5-13(6-10-15)23-25(17,19)20)16-11-7-14(8-12-16)24-26(18,21)22/h5-12H,3-4H2,1-2H3,(H2,17,19,20)(H2,18,21,22).
What are the key properties of [4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate?
[4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate has a molecular weight of 430.58 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[diethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate is sourced from PubChem (CID 90670787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).