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

C14H19NO2S — CID 11277092

IUPAC4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide
SMILESCCC(C)=C=CCNS(=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/h5,7-10,15H,4,11H2,1-3H3
InChIKeyLIQXEKZHLKISEH-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.78
Rot. Bonds5

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

4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide (PubChem CID 11277092) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide
PubChem CID11277092
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide
SMILESCCC(C)=C=CCNS(=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/h5,7-10,15H,4,11H2,1-3H3
InChIKeyLIQXEKZHLKISEH-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

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Related Compounds

4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide
CID 11119928
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
N-[(E)-4-iodo-3-methylbut-2-enyl]-4-methylbenzenesulfonamide
CID 125499199
N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide
CID 11130078
N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide
CID 13215821
4-methyl-N-[(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]benzenesulfonamide
CID 102486955
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
N-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide
CID 122390713
4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide
CID 102287422
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]hex-3-ynyl]benzenesulfonamide
CID 100943896
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide (CID 11277092) is 4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide is CCC(C)=C=CCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide?
The InChIKey is LIQXEKZHLKISEH-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/h5,7-10,15H,4,11H2,1-3H3.
What are the key properties of 4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide?
4-methyl-N-(4-methylhexa-2,3-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-(4-methylhexa-2,3-dienyl)benzenesulfonamide is sourced from PubChem (CID 11277092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).