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

C14H19NO2S — CID 102287422

IUPAC4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide
SMILESC=C=C(C)CCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO2S/c1-4-12(2)6-5-11-15-18(16,17)14-9-7-13(3)8-10-14/h7-10,15H,1,5-6,11H2,2-3H3
InChIKeyBHIUCZYDAYTWPJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.78
Rot. Bonds6

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

4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide (PubChem CID 102287422) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide
PubChem CID102287422
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide
SMILESC=C=C(C)CCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO2S/c1-4-12(2)6-5-11-15-18(16,17)14-9-7-13(3)8-10-14/h7-10,15H,1,5-6,11H2,2-3H3
InChIKeyBHIUCZYDAYTWPJ-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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'}

Analyze 4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide
CID 100928656
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide
CID 102272029
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 3090848
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]hex-3-ynyl]benzenesulfonamide
CID 100943896
N-(7-chloro-6-oxoheptyl)-4-methylbenzenesulfonamide
CID 3055648
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 14069626
4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 138979627

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide (CID 102287422) is 4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide is C=C=C(C)CCCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide?
The InChIKey is BHIUCZYDAYTWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-4-12(2)6-5-11-15-18(16,17)14-9-7-13(3)8-10-14/h7-10,15H,1,5-6,11H2,2-3H3.
What are the key properties of 4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide?
4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide has a molecular weight of 265.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide is sourced from PubChem (CID 102287422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).