(4-sulfamoyloxyphenyl) sulfamate

C6H8N2O6S2 — CID 44564283

IUPAC(4-sulfamoyloxyphenyl) sulfamate
SMILESNS(=O)(=O)Oc1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C6H8N2O6S2/c7-15(9,10)13-5-1-2-6(4-3-5)14-16(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)
InChIKeyBPEJBYDTMVTZIA-UHFFFAOYSA-N
MW268.27 g/mol
LogP-1.15
Rot. Bonds4

About (4-sulfamoyloxyphenyl) sulfamate

(4-sulfamoyloxyphenyl) sulfamate (PubChem CID 44564283) has the molecular formula C6H8N2O6S2 and a molecular weight of 268.27 g/mol. Its IUPAC name is (4-sulfamoyloxyphenyl) sulfamate.

Molecular Properties

Compound Name(4-sulfamoyloxyphenyl) sulfamate
PubChem CID44564283
Molecular FormulaC6H8N2O6S2
Molecular Weight268.27 g/mol
Exact Mass267.98
IUPAC Name(4-sulfamoyloxyphenyl) sulfamate
SMILESNS(=O)(=O)Oc1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C6H8N2O6S2/c7-15(9,10)13-5-1-2-6(4-3-5)14-16(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)
InChIKeyBPEJBYDTMVTZIA-UHFFFAOYSA-N
XLogP-1.15
TPSA138.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-sulfamoyloxyphenyl) sulfamate?
The IUPAC name of (4-sulfamoyloxyphenyl) sulfamate (CID 44564283) is (4-sulfamoyloxyphenyl) sulfamate.
What is the SMILES notation for (4-sulfamoyloxyphenyl) sulfamate?
The canonical SMILES for (4-sulfamoyloxyphenyl) sulfamate is NS(=O)(=O)Oc1ccc(OS(N)(=O)=O)cc1.
What is the InChIKey of (4-sulfamoyloxyphenyl) sulfamate?
The InChIKey is BPEJBYDTMVTZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O6S2/c7-15(9,10)13-5-1-2-6(4-3-5)14-16(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12).
What are the key properties of (4-sulfamoyloxyphenyl) sulfamate?
(4-sulfamoyloxyphenyl) sulfamate has a molecular weight of 268.27 g/mol, XLogP of -1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-sulfamoyloxyphenyl) sulfamate is sourced from PubChem (CID 44564283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).