[S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite

C7H15F3N2O4S2 — CID 20705456

IUPAC[S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite
SMILESCCCN(CCC)S(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C7H15F3N2O4S2/c1-3-5-12(6-4-2)18(14,15)11-17(13,16-10)7(8)9/h7H,3-6H2,1-2H3
InChIKeyNTXMWKAANOOYKB-UHFFFAOYSA-N
MW312.34 g/mol
LogP1.86
Rot. Bonds8

About [S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite

[S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite (PubChem CID 20705456) has the molecular formula C7H15F3N2O4S2 and a molecular weight of 312.34 g/mol. Its IUPAC name is [S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite.

Molecular Properties

Compound Name[S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite
PubChem CID20705456
Molecular FormulaC7H15F3N2O4S2
Molecular Weight312.34 g/mol
Exact Mass312.04
IUPAC Name[S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite
SMILESCCCN(CCC)S(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C7H15F3N2O4S2/c1-3-5-12(6-4-2)18(14,15)11-17(13,16-10)7(8)9/h7H,3-6H2,1-2H3
InChIKeyNTXMWKAANOOYKB-UHFFFAOYSA-N
XLogP1.86
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite?
The IUPAC name of [S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite (CID 20705456) is [S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite.
What is the SMILES notation for [S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite?
The canonical SMILES for [S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite is CCCN(CCC)S(=O)(=O)N=S(=O)(OF)C(F)F.
What is the InChIKey of [S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite?
The InChIKey is NTXMWKAANOOYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O4S2/c1-3-5-12(6-4-2)18(14,15)11-17(13,16-10)7(8)9/h7H,3-6H2,1-2H3.
What are the key properties of [S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite?
[S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite has a molecular weight of 312.34 g/mol, XLogP of 1.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite is sourced from PubChem (CID 20705456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).