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

C14H18N2O6S2Si — CID 90670785

IUPAC[4-[dimethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate
SMILESC[Si](C)(c1ccc(OS(N)(=O)=O)cc1)c1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C14H18N2O6S2Si/c1-25(2,13-7-3-11(4-8-13)21-23(15,17)18)14-9-5-12(6-10-14)22-24(16,19)20/h3-10H,1-2H3,(H2,15,17,18)(H2,16,19,20)
InChIKeyXYWXREAHDMXPKX-UHFFFAOYSA-N
MW402.53 g/mol
LogP-0.33
Rot. Bonds6

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

[4-[dimethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate (PubChem CID 90670785) has the molecular formula C14H18N2O6S2Si and a molecular weight of 402.53 g/mol. Its IUPAC name is [4-[dimethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[dimethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate
PubChem CID90670785
Molecular FormulaC14H18N2O6S2Si
Molecular Weight402.53 g/mol
Exact Mass402.04
IUPAC Name[4-[dimethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate
SMILESC[Si](C)(c1ccc(OS(N)(=O)=O)cc1)c1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C14H18N2O6S2Si/c1-25(2,13-7-3-11(4-8-13)21-23(15,17)18)14-9-5-12(6-10-14)22-24(16,19)20/h3-10H,1-2H3,(H2,15,17,18)(H2,16,19,20)
InChIKeyXYWXREAHDMXPKX-UHFFFAOYSA-N
XLogP-0.33
TPSA138.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [4-[dimethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate?
The IUPAC name of [4-[dimethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate (CID 90670785) is [4-[dimethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate.
What is the SMILES notation for [4-[dimethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate?
The canonical SMILES for [4-[dimethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate is C[Si](C)(c1ccc(OS(N)(=O)=O)cc1)c1ccc(OS(N)(=O)=O)cc1.
What is the InChIKey of [4-[dimethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate?
The InChIKey is XYWXREAHDMXPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S2Si/c1-25(2,13-7-3-11(4-8-13)21-23(15,17)18)14-9-5-12(6-10-14)22-24(16,19)20/h3-10H,1-2H3,(H2,15,17,18)(H2,16,19,20).
What are the key properties of [4-[dimethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate?
[4-[dimethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate has a molecular weight of 402.53 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl-(4-sulfamoyloxyphenyl)silyl]phenyl] sulfamate is sourced from PubChem (CID 90670785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).