N-(2-ethylhexyl)dodecane-1-sulfonamide

C20H43NO2S — CID 20789895

IUPACN-(2-ethylhexyl)dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)NCC(CC)CCCC
InChIInChI=1S/C20H43NO2S/c1-4-7-9-10-11-12-13-14-15-16-18-24(22,23)21-19-20(6-3)17-8-5-2/h20-21H,4-19H2,1-3H3
InChIKeyLDNSXHSXKAGBMM-UHFFFAOYSA-N
MW361.64 g/mol
LogP6.04
Rot. Bonds18

About N-(2-ethylhexyl)dodecane-1-sulfonamide

N-(2-ethylhexyl)dodecane-1-sulfonamide (PubChem CID 20789895) has the molecular formula C20H43NO2S and a molecular weight of 361.64 g/mol. Its IUPAC name is N-(2-ethylhexyl)dodecane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)dodecane-1-sulfonamide
PubChem CID20789895
Molecular FormulaC20H43NO2S
Molecular Weight361.64 g/mol
Exact Mass361.30
IUPAC NameN-(2-ethylhexyl)dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)NCC(CC)CCCC
InChIInChI=1S/C20H43NO2S/c1-4-7-9-10-11-12-13-14-15-16-18-24(22,23)21-19-20(6-3)17-8-5-2/h20-21H,4-19H2,1-3H3
InChIKeyLDNSXHSXKAGBMM-UHFFFAOYSA-N
XLogP6.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.64
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-ethylhexyl)dodecane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)hexadecane-1-sulfonamide
CID 22976871
N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen
CID 145277328
3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol
CID 138402180
3-ethyl-1-(3-ethylheptylsulfonyl)heptane
CID 57030599
N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide
CID 115613306
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide
CID 106115961
potassium;1,1-dicyano-N,N'-bis(2-ethylhexyl)methanedisulfonamide;hydride
CID 173197580
7-ethyltridecane;methane
CID 158982306

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)dodecane-1-sulfonamide?
The IUPAC name of N-(2-ethylhexyl)dodecane-1-sulfonamide (CID 20789895) is N-(2-ethylhexyl)dodecane-1-sulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)dodecane-1-sulfonamide?
The canonical SMILES for N-(2-ethylhexyl)dodecane-1-sulfonamide is CCCCCCCCCCCCS(=O)(=O)NCC(CC)CCCC.
What is the InChIKey of N-(2-ethylhexyl)dodecane-1-sulfonamide?
The InChIKey is LDNSXHSXKAGBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO2S/c1-4-7-9-10-11-12-13-14-15-16-18-24(22,23)21-19-20(6-3)17-8-5-2/h20-21H,4-19H2,1-3H3.
What are the key properties of N-(2-ethylhexyl)dodecane-1-sulfonamide?
N-(2-ethylhexyl)dodecane-1-sulfonamide has a molecular weight of 361.64 g/mol, XLogP of 6.04, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)dodecane-1-sulfonamide is sourced from PubChem (CID 20789895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).