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

C9H19F3N2O4S2 — CID 20705427

IUPAC[N-(dibutylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite
SMILESCCCCN(CCCC)S(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C9H19F3N2O4S2/c1-3-5-7-14(8-6-4-2)20(16,17)13-19(15,18-12)9(10)11/h9H,3-8H2,1-2H3
InChIKeyUDGIKPMEDBTAMD-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.64
Rot. Bonds10

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

[N-(dibutylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite (PubChem CID 20705427) has the molecular formula C9H19F3N2O4S2 and a molecular weight of 340.39 g/mol. Its IUPAC name is [N-(dibutylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite.

Molecular Properties

Compound Name[N-(dibutylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite
PubChem CID20705427
Molecular FormulaC9H19F3N2O4S2
Molecular Weight340.39 g/mol
Exact Mass340.07
IUPAC Name[N-(dibutylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite
SMILESCCCCN(CCCC)S(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C9H19F3N2O4S2/c1-3-5-7-14(8-6-4-2)20(16,17)13-19(15,18-12)9(10)11/h9H,3-8H2,1-2H3
InChIKeyUDGIKPMEDBTAMD-UHFFFAOYSA-N
XLogP2.64
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 11048104
1-Methyl-1-propylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
CID 25171607
Butyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 12991988
1-Ethyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 53316417
Tributylmethylammonium bis(trifluoromethylsulfonyl)imide
CID 44630019
Tetrabutylammonium bis-trifluoromethanesulfonimidate
CID 16218632
Tetraethylammonium bistrifluoromethanesulfonimidate
CID 16218644
Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide
CID 53384372
N,N,N-Trimethylpropan-1-aminium bis(trifluoromethanesulfonyl)azanide
CID 53384436
Triethylbutylammonium bis(trifluoromethylsulfonyl)imide
CID 121235741
Ethyldimethylpropylammonium bis(trifluoromethylsulfonyl)imide
CID 71310880
N-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide
CID 59046694

Frequently Asked Questions

What is the IUPAC name of [N-(dibutylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
The IUPAC name of [N-(dibutylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite (CID 20705427) is [N-(dibutylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite.
What is the SMILES notation for [N-(dibutylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
The canonical SMILES for [N-(dibutylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite is CCCCN(CCCC)S(=O)(=O)N=S(=O)(OF)C(F)F.
What is the InChIKey of [N-(dibutylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
The InChIKey is UDGIKPMEDBTAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O4S2/c1-3-5-7-14(8-6-4-2)20(16,17)13-19(15,18-12)9(10)11/h9H,3-8H2,1-2H3.
What are the key properties of [N-(dibutylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
[N-(dibutylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite has a molecular weight of 340.39 g/mol, XLogP of 2.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [N-(dibutylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite is sourced from PubChem (CID 20705427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).