N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide

C19H35F6NO2S — CID 126638200

IUPACN,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C19H35F6NO2S/c1-5-9-11-15(7-3)13-26(14-16(8-4)12-10-6-2)29(27,28)19(24,25)18(22,23)17(20)21/h15-17H,5-14H2,1-4H3
InChIKeyHUIVGLNTQMFWDT-UHFFFAOYSA-N
MW455.55 g/mol
LogP6.54
Rot. Bonds16

About N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide

N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide (PubChem CID 126638200) has the molecular formula C19H35F6NO2S and a molecular weight of 455.55 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
PubChem CID126638200
Molecular FormulaC19H35F6NO2S
Molecular Weight455.55 g/mol
Exact Mass455.23
IUPAC NameN,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C19H35F6NO2S/c1-5-9-11-15(7-3)13-26(14-16(8-4)12-10-6-2)29(27,28)19(24,25)18(22,23)17(20)21/h15-17H,5-14H2,1-4H3
InChIKeyHUIVGLNTQMFWDT-UHFFFAOYSA-N
XLogP6.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.55
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

[N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite
CID 20705423
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-methyl-N-octadecyloctane-1-sulfonamide
CID 21418861
N,N-bis[3-(dimethylamino)propyl]-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-sulfonamide
CID 57709884
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
N-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
CID 59046685
3,5-Ditert-butyl-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine
CID 88869797
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide?
The IUPAC name of N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide (CID 126638200) is N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide is CCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide?
The InChIKey is HUIVGLNTQMFWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F6NO2S/c1-5-9-11-15(7-3)13-26(14-16(8-4)12-10-6-2)29(27,28)19(24,25)18(22,23)17(20)21/h15-17H,5-14H2,1-4H3.
What are the key properties of N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide?
N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide has a molecular weight of 455.55 g/mol, XLogP of 6.54, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide is sourced from PubChem (CID 126638200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).