4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene

C30H20Br2Cl4O2S — CID 87962304

IUPAC4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene
SMILESO=S(=O)(C(/C=C/c1ccc(Br)cc1Cl)c1ccc(Cl)cc1)C(/C=C/c1ccc(Br)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C30H20Br2Cl4O2S/c31-23-9-1-19(27(35)17-23)7-15-29(21-3-11-25(33)12-4-21)39(37,38)30(22-5-13-26(34)14-6-22)16-8-20-2-10-24(32)18-28(20)36/h1-18,29-30H/b15-7+,16-8+
InChIKeyAGTKKWBITPOJCR-BGPOSVGRSA-N
MW746.17 g/mol
LogP11.45
Rot. Bonds8

About 4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene

4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene (PubChem CID 87962304) has the molecular formula C30H20Br2Cl4O2S and a molecular weight of 746.17 g/mol. Its IUPAC name is 4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene.

Molecular Properties

Compound Name4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene
PubChem CID87962304
Molecular FormulaC30H20Br2Cl4O2S
Molecular Weight746.17 g/mol
Exact Mass741.83
IUPAC Name4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene
SMILESO=S(=O)(C(/C=C/c1ccc(Br)cc1Cl)c1ccc(Cl)cc1)C(/C=C/c1ccc(Br)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C30H20Br2Cl4O2S/c31-23-9-1-19(27(35)17-23)7-15-29(21-3-11-25(33)12-4-21)39(37,38)30(22-5-13-26(34)14-6-22)16-8-20-2-10-24(32)18-28(20)36/h1-18,29-30H/b15-7+,16-8+
InChIKeyAGTKKWBITPOJCR-BGPOSVGRSA-N
XLogP11.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.17
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-[(E)-3-[(E)-3-(2-chloro-4-fluorophenyl)-1-(4-fluorophenyl)prop-2-enyl]sulfonyl-3-(4-fluorophenyl)prop-1-enyl]-4-fluorobenzene
CID 87962814
1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene
CID 173033063
(E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide
CID 82779692
1-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-iodophenyl)prop-2-enyl]sulfonylprop-1-enyl]-4-iodobenzene
CID 87903521
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-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-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 66937867
(E)-3-(4-bromo-2-chlorophenyl)prop-2-enoic acid
CID 52982958
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502
4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene
CID 170498473
1-[3-[3-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethylbenzene
CID 68535782
1-bromo-4-[(S)-chloro-(4-chlorophenyl)methyl]benzene
CID 94201521

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene?
The IUPAC name of 4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene (CID 87962304) is 4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene.
What is the SMILES notation for 4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene?
The canonical SMILES for 4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene is O=S(=O)(C(/C=C/c1ccc(Br)cc1Cl)c1ccc(Cl)cc1)C(/C=C/c1ccc(Br)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene?
The InChIKey is AGTKKWBITPOJCR-BGPOSVGRSA-N. The full InChI is InChI=1S/C30H20Br2Cl4O2S/c31-23-9-1-19(27(35)17-23)7-15-29(21-3-11-25(33)12-4-21)39(37,38)30(22-5-13-26(34)14-6-22)16-8-20-2-10-24(32)18-28(20)36/h1-18,29-30H/b15-7+,16-8+.
What are the key properties of 4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene?
4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene has a molecular weight of 746.17 g/mol, XLogP of 11.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene is sourced from PubChem (CID 87962304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).