N-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide

C17H35F3N2O4S2 — CID 59046685

IUPACN-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C17H35F3N2O4S2/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/h15-16,21H,5-14H2,1-4H3
InChIKeyTUBNEZSOIURJTN-UHFFFAOYSA-N
MW452.61 g/mol
LogP4.41
Rot. Bonds15

About N-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide

N-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 59046685) has the molecular formula C17H35F3N2O4S2 and a molecular weight of 452.61 g/mol. Its IUPAC name is N-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID59046685
Molecular FormulaC17H35F3N2O4S2
Molecular Weight452.61 g/mol
Exact Mass452.20
IUPAC NameN-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C17H35F3N2O4S2/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/h15-16,21H,5-14H2,1-4H3
InChIKeyTUBNEZSOIURJTN-UHFFFAOYSA-N
XLogP4.41
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.61
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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
Bis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide
CID 59046684
tributyl(heptyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089398
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
N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
CID 126638200
5-[Butyl(2-ethylhexyl)sulfamoyl]-3-ethyl-4,4-difluoro-5-methylheptane-3-sulfonic acid
CID 126656748
Bis(trifluoromethylsulfonyl)azanide;2-ethylhexyl-di(propan-2-yl)azanium
CID 141718821

Frequently Asked Questions

What is the IUPAC name of N-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide (CID 59046685) is N-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide is CCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is TUBNEZSOIURJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35F3N2O4S2/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/h15-16,21H,5-14H2,1-4H3.
What are the key properties of N-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide?
N-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 452.61 g/mol, XLogP of 4.41, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 59046685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).