[4-[(4-hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate

C14H17NO4SSi — CID 90670783

IUPAC[4-[(4-hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate
SMILESC[Si](C)(c1ccc(O)cc1)c1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C14H17NO4SSi/c1-21(2,13-7-3-11(16)4-8-13)14-9-5-12(6-10-14)19-20(15,17)18/h3-10,16H,1-2H3,(H2,15,17,18)
InChIKeySHSIQWKCYGXSPB-UHFFFAOYSA-N
MW323.45 g/mol
LogP0.80
Rot. Bonds4

About [4-[(4-hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate

[4-[(4-hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate (PubChem CID 90670783) has the molecular formula C14H17NO4SSi and a molecular weight of 323.45 g/mol. Its IUPAC name is [4-[(4-hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(4-hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate
PubChem CID90670783
Molecular FormulaC14H17NO4SSi
Molecular Weight323.45 g/mol
Exact Mass323.06
IUPAC Name[4-[(4-hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate
SMILESC[Si](C)(c1ccc(O)cc1)c1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C14H17NO4SSi/c1-21(2,13-7-3-11(16)4-8-13)14-9-5-12(6-10-14)19-20(15,17)18/h3-10,16H,1-2H3,(H2,15,17,18)
InChIKeySHSIQWKCYGXSPB-UHFFFAOYSA-N
XLogP0.80
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 50.80
H-Bond Donors ≤ 52
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 [4-[(4-hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate?
The IUPAC name of [4-[(4-hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate (CID 90670783) is [4-[(4-hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate.
What is the SMILES notation for [4-[(4-hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate?
The canonical SMILES for [4-[(4-hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate is C[Si](C)(c1ccc(O)cc1)c1ccc(OS(N)(=O)=O)cc1.
What is the InChIKey of [4-[(4-hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate?
The InChIKey is SHSIQWKCYGXSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4SSi/c1-21(2,13-7-3-11(16)4-8-13)14-9-5-12(6-10-14)19-20(15,17)18/h3-10,16H,1-2H3,(H2,15,17,18).
What are the key properties of [4-[(4-hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate?
[4-[(4-hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate has a molecular weight of 323.45 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-hydroxyphenyl)-dimethylsilyl]phenyl] sulfamate is sourced from PubChem (CID 90670783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).