4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide

C16H23NO2S — CID 170102517

IUPAC4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide
SMILESCC/C=C\C=C/C(C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23NO2S/c1-4-5-6-7-8-15(3)13-17-20(18,19)16-11-9-14(2)10-12-16/h5-12,15,17H,4,13H2,1-3H3/b6-5-,8-7-
InChIKeyOGFFSJQQKRLEBS-ISTTXYCBSA-N
MW293.43 g/mol
LogP3.43
Rot. Bonds7

About 4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide

4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide (PubChem CID 170102517) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide
PubChem CID170102517
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide
SMILESCC/C=C\C=C/C(C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23NO2S/c1-4-5-6-7-8-15(3)13-17-20(18,19)16-11-9-14(2)10-12-16/h5-12,15,17H,4,13H2,1-3H3/b6-5-,8-7-
InChIKeyOGFFSJQQKRLEBS-ISTTXYCBSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-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-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide
CID 86098497
N-[2,2-bis[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 175193129
N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide
CID 13215821
N-(2-bromo-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 141352763
N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide
CID 66092322
(2S)-2,3-bis[(4-methylphenyl)sulfonylamino]propanoic acid
CID 44722108
4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
CID 10519274
methyl (Z,4R)-5-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]hex-2-enoate
CID 10404064
[2-methyl-3-[(4-methylphenyl)sulfonylamino]propyl] 4-methylbenzenesulfonate
CID 25158928
N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide
CID 135005405

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide (CID 170102517) is 4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide is CC/C=C\C=C/C(C)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide?
The InChIKey is OGFFSJQQKRLEBS-ISTTXYCBSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-4-5-6-7-8-15(3)13-17-20(18,19)16-11-9-14(2)10-12-16/h5-12,15,17H,4,13H2,1-3H3/b6-5-,8-7-.
What are the key properties of 4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide?
4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide has a molecular weight of 293.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide is sourced from PubChem (CID 170102517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).