N,N-dioctyldodecane-1-sulfonamide

C28H59NO2S — CID 15510197

IUPACN,N-dioctyldodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C28H59NO2S/c1-4-7-10-13-16-17-18-19-22-25-28-32(30,31)29(26-23-20-14-11-8-5-2)27-24-21-15-12-9-6-3/h4-28H2,1-3H3
InChIKeyPPBBTZMRYLOAMJ-UHFFFAOYSA-N
MW473.85 g/mol
LogP9.26
Rot. Bonds26

About N,N-dioctyldodecane-1-sulfonamide

N,N-dioctyldodecane-1-sulfonamide (PubChem CID 15510197) has the molecular formula C28H59NO2S and a molecular weight of 473.85 g/mol. Its IUPAC name is N,N-dioctyldodecane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dioctyldodecane-1-sulfonamide
PubChem CID15510197
Molecular FormulaC28H59NO2S
Molecular Weight473.85 g/mol
Exact Mass473.43
IUPAC NameN,N-dioctyldodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C28H59NO2S/c1-4-7-10-13-16-17-18-19-22-25-28-32(30,31)29(26-23-20-14-11-8-5-2)27-24-21-15-12-9-6-3/h4-28H2,1-3H3
InChIKeyPPBBTZMRYLOAMJ-UHFFFAOYSA-N
XLogP9.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.85
LogP ≤ 59.26
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-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
N,N-dipentylethanesulfonamide
CID 3453334
N,N,N',N'-tetrahexylmethanedisulfonamide
CID 140586824
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-(4-aminobutyl)-N-[3-[4-(4-aminobutylamino)butylamino]propyl]octadecane-1-sulfonamide
CID 158958284
N,N-dimethylheptane-1-sulfonamide
CID 118391256
methyl 4-[hexyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 61460350
N,N-bis(prop-2-enyl)octane-1-sulfonamide
CID 88561748
N-butylsulfonyl-N-methylhexane-1-sulfonamide
CID 167138373
N-ethyl-N-methylheptane-1-sulfonamide
CID 131966885

Frequently Asked Questions

What is the IUPAC name of N,N-dioctyldodecane-1-sulfonamide?
The IUPAC name of N,N-dioctyldodecane-1-sulfonamide (CID 15510197) is N,N-dioctyldodecane-1-sulfonamide.
What is the SMILES notation for N,N-dioctyldodecane-1-sulfonamide?
The canonical SMILES for N,N-dioctyldodecane-1-sulfonamide is CCCCCCCCCCCCS(=O)(=O)N(CCCCCCCC)CCCCCCCC.
What is the InChIKey of N,N-dioctyldodecane-1-sulfonamide?
The InChIKey is PPBBTZMRYLOAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59NO2S/c1-4-7-10-13-16-17-18-19-22-25-28-32(30,31)29(26-23-20-14-11-8-5-2)27-24-21-15-12-9-6-3/h4-28H2,1-3H3.
What are the key properties of N,N-dioctyldodecane-1-sulfonamide?
N,N-dioctyldodecane-1-sulfonamide has a molecular weight of 473.85 g/mol, XLogP of 9.26, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dioctyldodecane-1-sulfonamide is sourced from PubChem (CID 15510197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).