N-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide

C26H27NO2S — CID 135016507

IUPACN-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide
SMILESC=C/C=C/CC(CNS(=O)(=O)c1ccc(C)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO2S/c1-3-4-11-20-26(23-12-7-5-8-13-23,24-14-9-6-10-15-24)21-27-30(28,29)25-18-16-22(2)17-19-25/h3-19,27H,1,20-21H2,2H3/b11-4+
InChIKeyVDWJTHJNZCANMH-NYYWCZLTSA-N
MW417.57 g/mol
LogP5.39
Rot. Bonds9

About N-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide

N-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide (PubChem CID 135016507) has the molecular formula C26H27NO2S and a molecular weight of 417.57 g/mol. Its IUPAC name is N-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide
PubChem CID135016507
Molecular FormulaC26H27NO2S
Molecular Weight417.57 g/mol
Exact Mass417.18
IUPAC NameN-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide
SMILESC=C/C=C/CC(CNS(=O)(=O)c1ccc(C)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO2S/c1-3-4-11-20-26(23-12-7-5-8-13-23,24-14-9-6-10-15-24)21-27-30(28,29)25-18-16-22(2)17-19-25/h3-19,27H,1,20-21H2,2H3/b11-4+
InChIKeyVDWJTHJNZCANMH-NYYWCZLTSA-N
XLogP5.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.57
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2,2-bis(4-methylphenyl)hexa-4,5-dienyl]-4-methylbenzenesulfonamide
CID 102424933
N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 10065175
N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide
CID 156694376
4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
CID 10519274
4-methyl-N-[2-(4-nitrophenyl)sulfanyl-2-phenylpent-4-enyl]benzenesulfonamide
CID 102497482
N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide
CID 10043080
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
N-(2,2-dimethyl-3-oxopropyl)-4-methylbenzenesulfonamide
CID 11402591
N-[5-[(3-aminophenyl)methylamino]-2,2-diphenylpentyl]-4-methylbenzenesulfonamide
CID 19045712
N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 102294027
N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide
CID 11954463
N-(2-amino-2,2-difluoroethyl)-4-methylbenzenesulfonamide
CID 130184477

Frequently Asked Questions

What is the IUPAC name of N-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide (CID 135016507) is N-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide is C=C/C=C/CC(CNS(=O)(=O)c1ccc(C)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide?
The InChIKey is VDWJTHJNZCANMH-NYYWCZLTSA-N. The full InChI is InChI=1S/C26H27NO2S/c1-3-4-11-20-26(23-12-7-5-8-13-23,24-14-9-6-10-15-24)21-27-30(28,29)25-18-16-22(2)17-19-25/h3-19,27H,1,20-21H2,2H3/b11-4+.
What are the key properties of N-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide?
N-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide has a molecular weight of 417.57 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135016507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).