N-octadecylpropane-1-sulfonamide

C21H45NO2S — CID 88827291

IUPACN-octadecylpropane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCCCNS(=O)(=O)CCC
InChIInChI=1S/C21H45NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(23,24)21-4-2/h22H,3-21H2,1-2H3
InChIKeyKENIUIWBGZRXOQ-UHFFFAOYSA-N
MW375.66 g/mol
LogP6.58
Rot. Bonds20

About N-octadecylpropane-1-sulfonamide

N-octadecylpropane-1-sulfonamide (PubChem CID 88827291) has the molecular formula C21H45NO2S and a molecular weight of 375.66 g/mol. Its IUPAC name is N-octadecylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-octadecylpropane-1-sulfonamide
PubChem CID88827291
Molecular FormulaC21H45NO2S
Molecular Weight375.66 g/mol
Exact Mass375.32
IUPAC NameN-octadecylpropane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCCCNS(=O)(=O)CCC
InChIInChI=1S/C21H45NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(23,24)21-4-2/h22H,3-21H2,1-2H3
InChIKeyKENIUIWBGZRXOQ-UHFFFAOYSA-N
XLogP6.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.66
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decylbutane-1-sulfonamide
CID 19681427
N,N'-dihexadecylmethanedisulfonamide
CID 140586841
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
2-(dimethylamino)-N-octadecylethanesulfonamide
CID 91693805
N-(6-iodohexyl)butane-1-sulfonamide
CID 107848989
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
2-(cyclohexylamino)-N-octylethanesulfonamide
CID 45480035
11-(octylsulfonylamino)undecanoic acid
CID 4605614
N-(2-hydroxyethyl)decane-1-sulfonamide
CID 171981376
N-[4-(dimethylamino)butyl]propane-1-sulfonamide
CID 64586138

Frequently Asked Questions

What is the IUPAC name of N-octadecylpropane-1-sulfonamide?
The IUPAC name of N-octadecylpropane-1-sulfonamide (CID 88827291) is N-octadecylpropane-1-sulfonamide.
What is the SMILES notation for N-octadecylpropane-1-sulfonamide?
The canonical SMILES for N-octadecylpropane-1-sulfonamide is CCCCCCCCCCCCCCCCCCNS(=O)(=O)CCC.
What is the InChIKey of N-octadecylpropane-1-sulfonamide?
The InChIKey is KENIUIWBGZRXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(23,24)21-4-2/h22H,3-21H2,1-2H3.
What are the key properties of N-octadecylpropane-1-sulfonamide?
N-octadecylpropane-1-sulfonamide has a molecular weight of 375.66 g/mol, XLogP of 6.58, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadecylpropane-1-sulfonamide is sourced from PubChem (CID 88827291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).