N-ethyl-N-octyloctane-1-sulfonamide

C18H39NO2S — CID 176689597

IUPACN-ethyl-N-octyloctane-1-sulfonamide
SMILESCCCCCCCCN(CC)S(=O)(=O)CCCCCCCC
InChIInChI=1S/C18H39NO2S/c1-4-7-9-11-13-15-17-19(6-3)22(20,21)18-16-14-12-10-8-5-2/h4-18H2,1-3H3
InChIKeyXKNUDDFOWDKDSR-UHFFFAOYSA-N
MW333.58 g/mol
LogP5.36
Rot. Bonds16

About N-ethyl-N-octyloctane-1-sulfonamide

N-ethyl-N-octyloctane-1-sulfonamide (PubChem CID 176689597) has the molecular formula C18H39NO2S and a molecular weight of 333.58 g/mol. Its IUPAC name is N-ethyl-N-octyloctane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-octyloctane-1-sulfonamide
PubChem CID176689597
Molecular FormulaC18H39NO2S
Molecular Weight333.58 g/mol
Exact Mass333.27
IUPAC NameN-ethyl-N-octyloctane-1-sulfonamide
SMILESCCCCCCCCN(CC)S(=O)(=O)CCCCCCCC
InChIInChI=1S/C18H39NO2S/c1-4-7-9-11-13-15-17-19(6-3)22(20,21)18-16-14-12-10-8-5-2/h4-18H2,1-3H3
InChIKeyXKNUDDFOWDKDSR-UHFFFAOYSA-N
XLogP5.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.58
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dioctyldodecane-1-sulfonamide
CID 15510197
N,N-dipentylethanesulfonamide
CID 3453334
N-ethyl-N-tetradecylmethanesulfonamide
CID 91715481
N,N-bis(6-cyanohexyl)pentane-1-sulfonamide
CID 161351187
N,N-bis(9-cyanononyl)nonane-1-sulfonamide
CID 161312679
N,N-bis(7-cyanoheptyl)heptane-1-sulfonamide
CID 172815352
N,N,N',N'-tetrahexylmethanedisulfonamide
CID 140586824
N-ethyl-N-methylheptane-1-sulfonamide
CID 131966885
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
N-(4-aminobutyl)-N-[3-[4-(4-aminobutylamino)butylamino]propyl]octadecane-1-sulfonamide
CID 158958284
N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide
CID 102998334
3-amino-N-ethyl-N-propylpropane-1-sulfonamide
CID 60910344

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-octyloctane-1-sulfonamide?
The IUPAC name of N-ethyl-N-octyloctane-1-sulfonamide (CID 176689597) is N-ethyl-N-octyloctane-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-octyloctane-1-sulfonamide?
The canonical SMILES for N-ethyl-N-octyloctane-1-sulfonamide is CCCCCCCCN(CC)S(=O)(=O)CCCCCCCC.
What is the InChIKey of N-ethyl-N-octyloctane-1-sulfonamide?
The InChIKey is XKNUDDFOWDKDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2S/c1-4-7-9-11-13-15-17-19(6-3)22(20,21)18-16-14-12-10-8-5-2/h4-18H2,1-3H3.
What are the key properties of N-ethyl-N-octyloctane-1-sulfonamide?
N-ethyl-N-octyloctane-1-sulfonamide has a molecular weight of 333.58 g/mol, XLogP of 5.36, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-octyloctane-1-sulfonamide is sourced from PubChem (CID 176689597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).