N,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide

C18H37F2NO2S — CID 58122741

IUPACN,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)C(C)(F)F
InChIInChI=1S/C18H37F2NO2S/c1-6-10-12-16(8-3)14-21(24(22,23)18(5,19)20)15-17(9-4)13-11-7-2/h16-17H,6-15H2,1-5H3
InChIKeyAQWONTHXLRBIEP-UHFFFAOYSA-N
MW369.56 g/mol
LogP5.66
Rot. Bonds14

About N,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide

N,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide (PubChem CID 58122741) has the molecular formula C18H37F2NO2S and a molecular weight of 369.56 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide
PubChem CID58122741
Molecular FormulaC18H37F2NO2S
Molecular Weight369.56 g/mol
Exact Mass369.25
IUPAC NameN,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)C(C)(F)F
InChIInChI=1S/C18H37F2NO2S/c1-6-10-12-16(8-3)14-21(24(22,23)18(5,19)20)15-17(9-4)13-11-7-2/h16-17H,6-15H2,1-5H3
InChIKeyAQWONTHXLRBIEP-UHFFFAOYSA-N
XLogP5.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.56
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methanesulfonamide, N,N-bis(2-ethylhexyl)-
CID 533127
[N-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite
CID 20705423
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-Diethyl-1-(trifluoromethylsulfonyl)piperidine
CID 67670672
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide?
The IUPAC name of N,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide (CID 58122741) is N,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide is CCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)C(C)(F)F.
What is the InChIKey of N,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide?
The InChIKey is AQWONTHXLRBIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37F2NO2S/c1-6-10-12-16(8-3)14-21(24(22,23)18(5,19)20)15-17(9-4)13-11-7-2/h16-17H,6-15H2,1-5H3.
What are the key properties of N,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide?
N,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide has a molecular weight of 369.56 g/mol, XLogP of 5.66, 14 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-difluoroethanesulfonamide is sourced from PubChem (CID 58122741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).