1-[(2Z)-1,3-diphenylhexa-2,5-dien-2-yl]sulfonyl-4-methylbenzene

C25H24O2S — CID 101475370

IUPAC1-[(2Z)-1,3-diphenylhexa-2,5-dien-2-yl]sulfonyl-4-methylbenzene
SMILESC=CC/C(=C(\Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H24O2S/c1-3-10-24(22-13-8-5-9-14-22)25(19-21-11-6-4-7-12-21)28(26,27)23-17-15-20(2)16-18-23/h3-9,11-18H,1,10,19H2,2H3/b25-24-
InChIKeyZZJFCKPGUMMVMG-IZHYLOQSSA-N
MW388.53 g/mol
LogP6.00
Rot. Bonds7

About 1-[(2Z)-1,3-diphenylhexa-2,5-dien-2-yl]sulfonyl-4-methylbenzene

1-[(2Z)-1,3-diphenylhexa-2,5-dien-2-yl]sulfonyl-4-methylbenzene (PubChem CID 101475370) has the molecular formula C25H24O2S and a molecular weight of 388.53 g/mol. Its IUPAC name is 1-[(2Z)-1,3-diphenylhexa-2,5-dien-2-yl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(2Z)-1,3-diphenylhexa-2,5-dien-2-yl]sulfonyl-4-methylbenzene
PubChem CID101475370
Molecular FormulaC25H24O2S
Molecular Weight388.53 g/mol
Exact Mass388.15
IUPAC Name1-[(2Z)-1,3-diphenylhexa-2,5-dien-2-yl]sulfonyl-4-methylbenzene
SMILESC=CC/C(=C(\Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H24O2S/c1-3-10-24(22-13-8-5-9-14-22)25(19-21-11-6-4-7-12-21)28(26,27)23-17-15-20(2)16-18-23/h3-9,11-18H,1,10,19H2,2H3/b25-24-
InChIKeyZZJFCKPGUMMVMG-IZHYLOQSSA-N
XLogP6.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[(1Z)-1-(4-methylphenyl)-2-phenylpenta-1,4-dienyl]methanesulfonamide
CID 56648632
1-[(1E)-1-chloro-2-(4-methylphenyl)sulfonylpenta-1,4-dienyl]-4-methylbenzene
CID 132603640
1-methyl-4-[(Z)-3-methyl-4-phenylbut-2-enyl]sulfonylbenzene
CID 134900740
benzyl-[(1Z)-1,2-diphenylpenta-1,4-dienyl]-dimethylsilane
CID 101475811
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
1-[(Z)-1-isocyano-2-phenylbut-1-enyl]sulfonyl-4-methylbenzene
CID 11001438
1-methyl-4-(3-phenyl-2-phenylselanylprop-1-enyl)sulfonylbenzene
CID 175968194
N-(2-benzylprop-2-enyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 154709075
azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride
CID 174764098
1-methyl-4-[(4Z)-nona-1,4-dien-4-yl]sulfonylbenzene
CID 102080230
1-methyl-4-(3-phenylprop-1-en-2-yl)benzene
CID 134964621
N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide
CID 11718265

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-1,3-diphenylhexa-2,5-dien-2-yl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[(2Z)-1,3-diphenylhexa-2,5-dien-2-yl]sulfonyl-4-methylbenzene (CID 101475370) is 1-[(2Z)-1,3-diphenylhexa-2,5-dien-2-yl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[(2Z)-1,3-diphenylhexa-2,5-dien-2-yl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[(2Z)-1,3-diphenylhexa-2,5-dien-2-yl]sulfonyl-4-methylbenzene is C=CC/C(=C(\Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 1-[(2Z)-1,3-diphenylhexa-2,5-dien-2-yl]sulfonyl-4-methylbenzene?
The InChIKey is ZZJFCKPGUMMVMG-IZHYLOQSSA-N. The full InChI is InChI=1S/C25H24O2S/c1-3-10-24(22-13-8-5-9-14-22)25(19-21-11-6-4-7-12-21)28(26,27)23-17-15-20(2)16-18-23/h3-9,11-18H,1,10,19H2,2H3/b25-24-.
What are the key properties of 1-[(2Z)-1,3-diphenylhexa-2,5-dien-2-yl]sulfonyl-4-methylbenzene?
1-[(2Z)-1,3-diphenylhexa-2,5-dien-2-yl]sulfonyl-4-methylbenzene has a molecular weight of 388.53 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-1,3-diphenylhexa-2,5-dien-2-yl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 101475370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).