1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene

C26H17Cl3O2S2 — CID 56956585

IUPAC1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene
SMILESO=S(=O)(/C(=C(\Sc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H17Cl3O2S2/c27-20-8-6-19(7-9-20)26(33(30,31)24-16-12-22(29)13-17-24)25(18-4-2-1-3-5-18)32-23-14-10-21(28)11-15-23/h1-17H/b26-25-
InChIKeyWJGHIMQZMZHWHB-QPLCGJKRSA-N
MW531.91 g/mol
LogP8.74
Rot. Bonds6

About 1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene

1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene (PubChem CID 56956585) has the molecular formula C26H17Cl3O2S2 and a molecular weight of 531.91 g/mol. Its IUPAC name is 1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene
PubChem CID56956585
Molecular FormulaC26H17Cl3O2S2
Molecular Weight531.91 g/mol
Exact Mass529.97
IUPAC Name1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene
SMILESO=S(=O)(/C(=C(\Sc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H17Cl3O2S2/c27-20-8-6-19(7-9-20)26(33(30,31)24-16-12-22(29)13-17-24)25(18-4-2-1-3-5-18)32-23-14-10-21(28)11-15-23/h1-17H/b26-25-
InChIKeyWJGHIMQZMZHWHB-QPLCGJKRSA-N
XLogP8.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.91
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 6384363
phenyl N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 2305334
(4-methylphenyl) N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 2305333
3-(4-chlorophenyl)sulfanyl-1,3-diphenylprop-2-en-1-one
CID 71416462
3-(4-chlorophenyl)sulfonyl-1-phenylprop-2-en-1-one
CID 2825843
benzene;4-chlorobenzenesulfonic acid
CID 159988924
1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene
CID 56956432
(E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one
CID 5367104
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-diazoethanone
CID 54486277
(4-benzoylphenyl) 4-chlorobenzenesulfonate
CID 7314216

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene?
The IUPAC name of 1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene (CID 56956585) is 1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene.
What is the SMILES notation for 1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene?
The canonical SMILES for 1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene is O=S(=O)(/C(=C(\Sc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene?
The InChIKey is WJGHIMQZMZHWHB-QPLCGJKRSA-N. The full InChI is InChI=1S/C26H17Cl3O2S2/c27-20-8-6-19(7-9-20)26(33(30,31)24-16-12-22(29)13-17-24)25(18-4-2-1-3-5-18)32-23-14-10-21(28)11-15-23/h1-17H/b26-25-.
What are the key properties of 1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene?
1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene has a molecular weight of 531.91 g/mol, XLogP of 8.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene is sourced from PubChem (CID 56956585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).