4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide

C18H19NO2S — CID 10519274

IUPAC4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC/C=C\C=C\c2ccccc2)cc1
InChIInChI=1S/C18H19NO2S/c1-16-11-13-18(14-12-16)22(20,21)19-15-7-3-6-10-17-8-4-2-5-9-17/h2-14,19H,15H2,1H3/b7-3-,10-6+
InChIKeyVKCMRZMOQGTVHV-PFWVIDTOSA-N
MW313.42 g/mol
LogP3.54
Rot. Bonds6

About 4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide

4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide (PubChem CID 10519274) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
PubChem CID10519274
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC/C=C\C=C\c2ccccc2)cc1
InChIInChI=1S/C18H19NO2S/c1-16-11-13-18(14-12-16)22(20,21)19-15-7-3-6-10-17-8-4-2-5-9-17/h2-14,19H,15H2,1H3/b7-3-,10-6+
InChIKeyVKCMRZMOQGTVHV-PFWVIDTOSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-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-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 24755429
N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 44546125
benzyl (2E,4Z)-6-[(4-methylphenyl)sulfonylamino]hexa-2,4-dienoate
CID 71659657
N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide
CID 13215821
[(E)-2-phenylethenyl] 4-methylbenzenesulfonate
CID 42643365
4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide
CID 8500656
4-methylbenzenesulfonate;[(E)-3-phenylprop-2-enyl]azanium
CID 10542631
N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11696524
[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
CID 102353447
N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
CID 23452751
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide (CID 10519274) is 4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC/C=C\C=C\c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide?
The InChIKey is VKCMRZMOQGTVHV-PFWVIDTOSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-16-11-13-18(14-12-16)22(20,21)19-15-7-3-6-10-17-8-4-2-5-9-17/h2-14,19H,15H2,1H3/b7-3-,10-6+.
What are the key properties of 4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide?
4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide is sourced from PubChem (CID 10519274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).