N-[7-(dimethylamino)heptyl]hexadecane-1-sulfonamide

C25H54N2O2S — CID 14407599

IUPACN-[7-(dimethylamino)heptyl]hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)NCCCCCCCN(C)C
InChIInChI=1S/C25H54N2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-30(28,29)26-23-20-17-16-18-21-24-27(2)3/h26H,4-25H2,1-3H3
InChIKeyZRIPTTVYQGAAFB-UHFFFAOYSA-N
MW446.79 g/mol
LogP6.90
Rot. Bonds24

About N-[7-(dimethylamino)heptyl]hexadecane-1-sulfonamide

N-[7-(dimethylamino)heptyl]hexadecane-1-sulfonamide (PubChem CID 14407599) has the molecular formula C25H54N2O2S and a molecular weight of 446.79 g/mol. Its IUPAC name is N-[7-(dimethylamino)heptyl]hexadecane-1-sulfonamide.

Molecular Properties

Compound NameN-[7-(dimethylamino)heptyl]hexadecane-1-sulfonamide
PubChem CID14407599
Molecular FormulaC25H54N2O2S
Molecular Weight446.79 g/mol
Exact Mass446.39
IUPAC NameN-[7-(dimethylamino)heptyl]hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)NCCCCCCCN(C)C
InChIInChI=1S/C25H54N2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-30(28,29)26-23-20-17-16-18-21-24-27(2)3/h26H,4-25H2,1-3H3
InChIKeyZRIPTTVYQGAAFB-UHFFFAOYSA-N
XLogP6.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.79
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-(dimethylamino)heptyl]hexadecane-1-sulfonamide?
The IUPAC name of N-[7-(dimethylamino)heptyl]hexadecane-1-sulfonamide (CID 14407599) is N-[7-(dimethylamino)heptyl]hexadecane-1-sulfonamide.
What is the SMILES notation for N-[7-(dimethylamino)heptyl]hexadecane-1-sulfonamide?
The canonical SMILES for N-[7-(dimethylamino)heptyl]hexadecane-1-sulfonamide is CCCCCCCCCCCCCCCCS(=O)(=O)NCCCCCCCN(C)C.
What is the InChIKey of N-[7-(dimethylamino)heptyl]hexadecane-1-sulfonamide?
The InChIKey is ZRIPTTVYQGAAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54N2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-30(28,29)26-23-20-17-16-18-21-24-27(2)3/h26H,4-25H2,1-3H3.
What are the key properties of N-[7-(dimethylamino)heptyl]hexadecane-1-sulfonamide?
N-[7-(dimethylamino)heptyl]hexadecane-1-sulfonamide has a molecular weight of 446.79 g/mol, XLogP of 6.90, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(dimethylamino)heptyl]hexadecane-1-sulfonamide is sourced from PubChem (CID 14407599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).