bis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide

C17H34F3N2O4S2- — CID 59046684

IUPACbis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C17H34F3N2O4S2/c1-5-9-11-15(7-3)13-22(14-16(8-4)12-10-6-2)28(25,26)21-27(23,24)17(18,19)20/h15-16H,5-14H2,1-4H3/q-1
InChIKeyOPCHBJQSBBTGSP-UHFFFAOYSA-N
MW451.60 g/mol
LogP5.19
Rot. Bonds15

About bis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide

bis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide (PubChem CID 59046684) has the molecular formula C17H34F3N2O4S2- and a molecular weight of 451.60 g/mol. Its IUPAC name is bis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namebis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide
PubChem CID59046684
Molecular FormulaC17H34F3N2O4S2-
Molecular Weight451.60 g/mol
Exact Mass451.19
IUPAC Namebis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C17H34F3N2O4S2/c1-5-9-11-15(7-3)13-22(14-16(8-4)12-10-6-2)28(25,26)21-27(23,24)17(18,19)20/h15-16H,5-14H2,1-4H3/q-1
InChIKeyOPCHBJQSBBTGSP-UHFFFAOYSA-N
XLogP5.19
TPSA85.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.60
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tri-n-butyl-n-heptylammonium bis(trifluoromethylsulfonyl) amide
CID 25173211
[N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite
CID 20705423
N,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide
CID 58122741
N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide
CID 58435992
N,N-bis(2-ethylhexyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
CID 58961966
N,N-bis(2-ethylhexyl)-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
CID 58961967
N-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
CID 59046685
N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide
CID 88916732
5-[Butyl(2-ethylhexyl)sulfamoyl]-4,4-difluoroheptane-3-sulfonic acid
CID 89153415
5-(Dibutylsulfamoyl)-3,5-diethyl-4,4-difluoroheptane-3-sulfonic acid
CID 89153479
3-[Bis(2-ethylhexyl)sulfamoyl]-3-fluoro-2-methylbutane-2-sulfonic acid
CID 117913728
N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide
CID 118241826

Frequently Asked Questions

What is the IUPAC name of bis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of bis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide (CID 59046684) is bis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for bis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for bis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide is CCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of bis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is OPCHBJQSBBTGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34F3N2O4S2/c1-5-9-11-15(7-3)13-22(14-16(8-4)12-10-6-2)28(25,26)21-27(23,24)17(18,19)20/h15-16H,5-14H2,1-4H3/q-1.
What are the key properties of bis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide?
bis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 451.60 g/mol, XLogP of 5.19, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 59046684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).