4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide

C14H19NO2S — CID 15638959

IUPAC4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide
SMILESCC(C)=C=CCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO2S/c1-12(2)6-4-5-11-15-18(16,17)14-9-7-13(3)8-10-14/h4,7-10,15H,5,11H2,1-3H3
InChIKeyLSSMBRKXEAJPMI-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.78
Rot. Bonds5

About 4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide

4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide (PubChem CID 15638959) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide
PubChem CID15638959
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide
SMILESCC(C)=C=CCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO2S/c1-12(2)6-4-5-11-15-18(16,17)14-9-7-13(3)8-10-14/h4,7-10,15H,5,11H2,1-3H3
InChIKeyLSSMBRKXEAJPMI-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.78
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 4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide (CID 15638959) is 4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide is CC(C)=C=CCCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide?
The InChIKey is LSSMBRKXEAJPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-12(2)6-4-5-11-15-18(16,17)14-9-7-13(3)8-10-14/h4,7-10,15H,5,11H2,1-3H3.
What are the key properties of 4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide?
4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide has a molecular weight of 265.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide is sourced from PubChem (CID 15638959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).