1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene

C32H28Cl2O4S — CID 66937867

IUPAC1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene
SMILESCOc1ccc(C(C=Cc2ccc(Cl)cc2)S(=O)(=O)C(C=Cc2ccc(Cl)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H28Cl2O4S/c1-37-29-17-9-25(10-18-29)31(21-7-23-3-13-27(33)14-4-23)39(35,36)32(26-11-19-30(38-2)20-12-26)22-8-24-5-15-28(34)16-6-24/h3-22,31-32H,1-2H3
InChIKeyARGZKZVEGLLEQX-UHFFFAOYSA-N
MW579.55 g/mol
LogP8.63
Rot. Bonds10

About 1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene

1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene (PubChem CID 66937867) has the molecular formula C32H28Cl2O4S and a molecular weight of 579.55 g/mol. Its IUPAC name is 1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene
PubChem CID66937867
Molecular FormulaC32H28Cl2O4S
Molecular Weight579.55 g/mol
Exact Mass578.11
IUPAC Name1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene
SMILESCOc1ccc(C(C=Cc2ccc(Cl)cc2)S(=O)(=O)C(C=Cc2ccc(Cl)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H28Cl2O4S/c1-37-29-17-9-25(10-18-29)31(21-7-23-3-13-27(33)14-4-23)39(35,36)32(26-11-19-30(38-2)20-12-26)22-8-24-5-15-28(34)16-6-24/h3-22,31-32H,1-2H3
InChIKeyARGZKZVEGLLEQX-UHFFFAOYSA-N
XLogP8.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.55
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[3-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene
CID 68531173
2-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]-1,3,5-trimethoxybenzene
CID 68558076
1-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-iodophenyl)prop-2-enyl]sulfonylprop-1-enyl]-4-iodobenzene
CID 87903521
2-[3-[3-(2-amino-5-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-4-chloroaniline
CID 68535729
1-chloro-4-[(E)-3-[(E)-3-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]sulfonyl-3-[4-(trifluoromethyl)phenyl]prop-1-enyl]benzene
CID 87210953
1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene
CID 173033063
1-[3-[3-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethylbenzene
CID 68535782
(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 94016154
1-chloro-4-methoxybenzene;sulfuryl dichloride
CID 87177696
1-[(E)-3-(4-chlorophenyl)-1-[(E)-3-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]sulfonylprop-2-enyl]-2,3,4,5,6-pentafluorobenzene
CID 87211070
1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene
CID 87210915
1-[3-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enyl]sulfonylprop-1-enyl]-2-nitrobenzene
CID 173033126

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene (CID 66937867) is 1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene is COc1ccc(C(C=Cc2ccc(Cl)cc2)S(=O)(=O)C(C=Cc2ccc(Cl)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene?
The InChIKey is ARGZKZVEGLLEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Cl2O4S/c1-37-29-17-9-25(10-18-29)31(21-7-23-3-13-27(33)14-4-23)39(35,36)32(26-11-19-30(38-2)20-12-26)22-8-24-5-15-28(34)16-6-24/h3-22,31-32H,1-2H3.
What are the key properties of 1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene?
1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene has a molecular weight of 579.55 g/mol, XLogP of 8.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene is sourced from PubChem (CID 66937867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).