2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide

C14H21NO2S — CID 23240622

IUPAC2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N/C=C/C(C)C)c(C)c1
InChIInChI=1S/C14H21NO2S/c1-10(2)6-7-15-18(16,17)14-12(4)8-11(3)9-13(14)5/h6-10,15H,1-5H3/b7-6+
InChIKeyCAJXBDQCMRZIRS-VOTSOKGWSA-N
MW267.39 g/mol
LogP3.06
Rot. Bonds4

About 2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide

2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide (PubChem CID 23240622) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide
PubChem CID23240622
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N/C=C/C(C)C)c(C)c1
InChIInChI=1S/C14H21NO2S/c1-10(2)6-7-15-18(16,17)14-12(4)8-11(3)9-13(14)5/h6-10,15H,1-5H3/b7-6+
InChIKeyCAJXBDQCMRZIRS-VOTSOKGWSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]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

N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 68919996
(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 22801291
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
3,3-dimethyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid
CID 43468075
N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen
CID 142348370
N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 43874177
N-(2-amino-3-hydroxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 64540008
N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide
CID 8778480
2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide
CID 17421400
N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890284

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide (CID 23240622) is 2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N/C=C/C(C)C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide?
The InChIKey is CAJXBDQCMRZIRS-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10(2)6-7-15-18(16,17)14-12(4)8-11(3)9-13(14)5/h6-10,15H,1-5H3/b7-6+.
What are the key properties of 2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide?
2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide has a molecular weight of 267.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide is sourced from PubChem (CID 23240622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).