N-(4-methylphenyl)dodecane-1-sulfonamide

C19H33NO2S — CID 20576485

IUPACN-(4-methylphenyl)dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H33NO2S/c1-3-4-5-6-7-8-9-10-11-12-17-23(21,22)20-19-15-13-18(2)14-16-19/h13-16,20H,3-12,17H2,1-2H3
InChIKeyJKWPCVDUIXRKJZ-UHFFFAOYSA-N
MW339.54 g/mol
LogP5.66
Rot. Bonds13

About N-(4-methylphenyl)dodecane-1-sulfonamide

N-(4-methylphenyl)dodecane-1-sulfonamide (PubChem CID 20576485) has the molecular formula C19H33NO2S and a molecular weight of 339.54 g/mol. Its IUPAC name is N-(4-methylphenyl)dodecane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)dodecane-1-sulfonamide
PubChem CID20576485
Molecular FormulaC19H33NO2S
Molecular Weight339.54 g/mol
Exact Mass339.22
IUPAC NameN-(4-methylphenyl)dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H33NO2S/c1-3-4-5-6-7-8-9-10-11-12-17-23(21,22)20-19-15-13-18(2)14-16-19/h13-16,20H,3-12,17H2,1-2H3
InChIKeyJKWPCVDUIXRKJZ-UHFFFAOYSA-N
XLogP5.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.54
LogP ≤ 55.66
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)dodecane-1-sulfonamide?
The IUPAC name of N-(4-methylphenyl)dodecane-1-sulfonamide (CID 20576485) is N-(4-methylphenyl)dodecane-1-sulfonamide.
What is the SMILES notation for N-(4-methylphenyl)dodecane-1-sulfonamide?
The canonical SMILES for N-(4-methylphenyl)dodecane-1-sulfonamide is CCCCCCCCCCCCS(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)dodecane-1-sulfonamide?
The InChIKey is JKWPCVDUIXRKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2S/c1-3-4-5-6-7-8-9-10-11-12-17-23(21,22)20-19-15-13-18(2)14-16-19/h13-16,20H,3-12,17H2,1-2H3.
What are the key properties of N-(4-methylphenyl)dodecane-1-sulfonamide?
N-(4-methylphenyl)dodecane-1-sulfonamide has a molecular weight of 339.54 g/mol, XLogP of 5.66, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)dodecane-1-sulfonamide is sourced from PubChem (CID 20576485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).