2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one

C25H24O3S — CID 101235690

IUPAC2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one
SMILESCCCC(/C=C(/c1ccccc1)S(=O)(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C25H24O3S/c1-2-12-22(25(26)21-15-8-4-9-16-21)19-24(20-13-6-3-7-14-20)29(27,28)23-17-10-5-11-18-23/h3-11,13-19,22H,2,12H2,1H3/b24-19-
InChIKeyWPEYJVVKDYWJAV-CLCOLTQESA-N
MW404.53 g/mol
LogP5.80
Rot. Bonds8

About 2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one

2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one (PubChem CID 101235690) has the molecular formula C25H24O3S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one.

Molecular Properties

Compound Name2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one
PubChem CID101235690
Molecular FormulaC25H24O3S
Molecular Weight404.53 g/mol
Exact Mass404.14
IUPAC Name2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one
SMILESCCCC(/C=C(/c1ccccc1)S(=O)(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C25H24O3S/c1-2-12-22(25(26)21-15-8-4-9-16-21)19-24(20-13-6-3-7-14-20)29(27,28)23-17-10-5-11-18-23/h3-11,13-19,22H,2,12H2,1H3/b24-19-
InChIKeyWPEYJVVKDYWJAV-CLCOLTQESA-N
XLogP5.80
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.53
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one 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

1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-(methylamino)pentan-1-one
CID 76974159
2-(benzenesulfonyl)-1-phenyl-2-propylsulfanylethanone
CID 163366194
[(E)-2-(benzenesulfonyl)-2-phenylethenyl]sulfanylmethylbenzene
CID 162397297
3-chloro-2-hydroxy-1-phenylhexan-1-one
CID 21268919
2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride
CID 172871870
[(2R)-1-oxo-1-phenyloctan-2-yl] 4-methylbenzenesulfonate
CID 102314979
2-pentyl-1-phenylheptan-1-one
CID 67882345
N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 58597535
1-phenyl-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795382
(2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one
CID 14448660
[(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene
CID 135080811
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one?
The IUPAC name of 2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one (CID 101235690) is 2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one.
What is the SMILES notation for 2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one?
The canonical SMILES for 2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one is CCCC(/C=C(/c1ccccc1)S(=O)(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one?
The InChIKey is WPEYJVVKDYWJAV-CLCOLTQESA-N. The full InChI is InChI=1S/C25H24O3S/c1-2-12-22(25(26)21-15-8-4-9-16-21)19-24(20-13-6-3-7-14-20)29(27,28)23-17-10-5-11-18-23/h3-11,13-19,22H,2,12H2,1H3/b24-19-.
What are the key properties of 2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one?
2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one has a molecular weight of 404.53 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-1-phenylpentan-1-one is sourced from PubChem (CID 101235690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).