4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide

C15H21NO2S — CID 100946178

IUPAC4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide
SMILESC=CC(NS(=O)(=O)c1ccc(C)cc1)C(C)/C=C/C
InChIInChI=1S/C15H21NO2S/c1-5-7-13(4)15(6-2)16-19(17,18)14-10-8-12(3)9-11-14/h5-11,13,15-16H,2H2,1,3-4H3/b7-5+
InChIKeyTYLUUVHHSPJDTQ-FNORWQNLSA-N
MW279.41 g/mol
LogP3.04
Rot. Bonds6

About 4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide

4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide (PubChem CID 100946178) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide
PubChem CID100946178
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide
SMILESC=CC(NS(=O)(=O)c1ccc(C)cc1)C(C)/C=C/C
InChIInChI=1S/C15H21NO2S/c1-5-7-13(4)15(6-2)16-19(17,18)14-10-8-12(3)9-11-14/h5-11,13,15-16H,2H2,1,3-4H3/b7-5+
InChIKeyTYLUUVHHSPJDTQ-FNORWQNLSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]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-[(1R,2R)-2-methyl-1-(4-methylphenyl)but-3-enyl]benzenesulfonamide
CID 100938085
N-[(1S,2S)-1-(4-chlorophenyl)-2-methylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11382505
4-methyl-N-[(2S)-1-oxopropan-2-yl]benzenesulfonamide
CID 18606138
N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 102308151
propan-2-yl 3-methyl-2-[(4-methylphenyl)sulfonylamino]pent-4-enoate
CID 101107926
4-methyl-N'-propan-2-ylbenzenesulfonohydrazide
CID 14470803
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide
CID 25016898
N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 15418146
ethane;4-methyl-N-[(4E)-2-oxo-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]benzenesulfonamide
CID 143418576
N-[(2S,4R)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 15418147

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide (CID 100946178) is 4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide is C=CC(NS(=O)(=O)c1ccc(C)cc1)C(C)/C=C/C.
What is the InChIKey of 4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide?
The InChIKey is TYLUUVHHSPJDTQ-FNORWQNLSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-5-7-13(4)15(6-2)16-19(17,18)14-10-8-12(3)9-11-14/h5-11,13,15-16H,2H2,1,3-4H3/b7-5+.
What are the key properties of 4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide?
4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide has a molecular weight of 279.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide is sourced from PubChem (CID 100946178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).