1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene

C16H12Cl2O4S3 — CID 11430477

IUPAC1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene
SMILESO=S(=O)(/C=C/S/C=C/S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2O4S3/c17-13-1-5-15(6-2-13)24(19,20)11-9-23-10-12-25(21,22)16-7-3-14(18)4-8-16/h1-12H/b11-9+,12-10+
InChIKeyLZWQFIIZSVYNCY-WGDLNXRISA-N
MW435.38 g/mol
LogP4.92
Rot. Bonds6

About 1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene

1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene (PubChem CID 11430477) has the molecular formula C16H12Cl2O4S3 and a molecular weight of 435.38 g/mol. Its IUPAC name is 1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene
PubChem CID11430477
Molecular FormulaC16H12Cl2O4S3
Molecular Weight435.38 g/mol
Exact Mass433.93
IUPAC Name1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene
SMILESO=S(=O)(/C=C/S/C=C/S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2O4S3/c17-13-1-5-15(6-2-13)24(19,20)11-9-23-10-12-25(21,22)16-7-3-14(18)4-8-16/h1-12H/b11-9+,12-10+
InChIKeyLZWQFIIZSVYNCY-WGDLNXRISA-N
XLogP4.92
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one
CID 13280987
2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine
CID 162664955
3-(4-chlorophenyl)sulfonyl-1-phenylprop-2-en-1-one
CID 2825843
3-(4-bromophenyl)sulfonyl-1-(4-chlorophenyl)prop-2-en-1-one
CID 2825861
1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one
CID 2825859
sodium 4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzoate
CID 102342332
bis(4-chlorobenzenesulfonate);mercury(2+)
CID 22604664
(E)-3-(3-chloro-4-fluorophenyl)sulfonylprop-2-enoic acid
CID 106435730
4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide
CID 150126436
1-(4-chlorophenyl)sulfonylethanone
CID 117037069
4-chlorobenzenesulfonic acid;methylsulfanylmethane
CID 175442785
cadmium;4-chlorobenzenesulfonic acid
CID 54603804

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene?
The IUPAC name of 1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene (CID 11430477) is 1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene.
What is the SMILES notation for 1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene?
The canonical SMILES for 1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene is O=S(=O)(/C=C/S/C=C/S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene?
The InChIKey is LZWQFIIZSVYNCY-WGDLNXRISA-N. The full InChI is InChI=1S/C16H12Cl2O4S3/c17-13-1-5-15(6-2-13)24(19,20)11-9-23-10-12-25(21,22)16-7-3-14(18)4-8-16/h1-12H/b11-9+,12-10+.
What are the key properties of 1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene?
1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene has a molecular weight of 435.38 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene is sourced from PubChem (CID 11430477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).