4-[2-(diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine

C6H9F2N4O4S+ — CID 7007155

IUPAC4-[2-(diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine
SMILESN#[N+]NS(=O)(=O)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C6H9F2N4O4S/c7-6(8,17(14,15)11-10-9)5(13)12-1-3-16-4-2-12/h11H,1-4H2/q+1
InChIKeyOZALAUTVUZSEFL-UHFFFAOYSA-N
MW271.23 g/mol
LogP-0.87
Rot. Bonds3

About 4-[2-(diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine

4-[2-(diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine (PubChem CID 7007155) has the molecular formula C6H9F2N4O4S+ and a molecular weight of 271.23 g/mol. Its IUPAC name is 4-[2-(diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine.

Molecular Properties

Compound Name4-[2-(diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine
PubChem CID7007155
Molecular FormulaC6H9F2N4O4S+
Molecular Weight271.23 g/mol
Exact Mass271.03
IUPAC Name4-[2-(diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine
SMILESN#[N+]NS(=O)(=O)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C6H9F2N4O4S/c7-6(8,17(14,15)11-10-9)5(13)12-1-3-16-4-2-12/h11H,1-4H2/q+1
InChIKeyOZALAUTVUZSEFL-UHFFFAOYSA-N
XLogP-0.87
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine?
The IUPAC name of 4-[2-(diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine (CID 7007155) is 4-[2-(diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine.
What is the SMILES notation for 4-[2-(diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine?
The canonical SMILES for 4-[2-(diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine is N#[N+]NS(=O)(=O)C(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 4-[2-(diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine?
The InChIKey is OZALAUTVUZSEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N4O4S/c7-6(8,17(14,15)11-10-9)5(13)12-1-3-16-4-2-12/h11H,1-4H2/q+1.
What are the key properties of 4-[2-(diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine?
4-[2-(diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine has a molecular weight of 271.23 g/mol, XLogP of -0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine is sourced from PubChem (CID 7007155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).