4-methyl-N-(2-methyldeca-2,3-dienyl)benzenesulfonamide

C18H27NO2S — CID 10903340

IUPAC4-methyl-N-(2-methyldeca-2,3-dienyl)benzenesulfonamide
SMILESCCCCCCC=C=C(C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H27NO2S/c1-4-5-6-7-8-9-10-17(3)15-19-22(20,21)18-13-11-16(2)12-14-18/h9,11-14,19H,4-8,15H2,1-3H3
InChIKeyZZRIPCBSCUEAFI-UHFFFAOYSA-N
MW321.49 g/mol
LogP4.35
Rot. Bonds9

About 4-methyl-N-(2-methyldeca-2,3-dienyl)benzenesulfonamide

4-methyl-N-(2-methyldeca-2,3-dienyl)benzenesulfonamide (PubChem CID 10903340) has the molecular formula C18H27NO2S and a molecular weight of 321.49 g/mol. Its IUPAC name is 4-methyl-N-(2-methyldeca-2,3-dienyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyldeca-2,3-dienyl)benzenesulfonamide
PubChem CID10903340
Molecular FormulaC18H27NO2S
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Name4-methyl-N-(2-methyldeca-2,3-dienyl)benzenesulfonamide
SMILESCCCCCCC=C=C(C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H27NO2S/c1-4-5-6-7-8-9-10-17(3)15-19-22(20,21)18-13-11-16(2)12-14-18/h9,11-14,19H,4-8,15H2,1-3H3
InChIKeyZZRIPCBSCUEAFI-UHFFFAOYSA-N
XLogP4.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 54.35
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-(2-methyldeca-2,3-dienyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methyldeca-2,3-dienyl)benzenesulfonamide (CID 10903340) is 4-methyl-N-(2-methyldeca-2,3-dienyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methyldeca-2,3-dienyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methyldeca-2,3-dienyl)benzenesulfonamide is CCCCCCC=C=C(C)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2-methyldeca-2,3-dienyl)benzenesulfonamide?
The InChIKey is ZZRIPCBSCUEAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2S/c1-4-5-6-7-8-9-10-17(3)15-19-22(20,21)18-13-11-16(2)12-14-18/h9,11-14,19H,4-8,15H2,1-3H3.
What are the key properties of 4-methyl-N-(2-methyldeca-2,3-dienyl)benzenesulfonamide?
4-methyl-N-(2-methyldeca-2,3-dienyl)benzenesulfonamide has a molecular weight of 321.49 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyldeca-2,3-dienyl)benzenesulfonamide is sourced from PubChem (CID 10903340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).