1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-2,4-dichlorobenzene

C14H9Cl3O2S — CID 44593044

IUPAC1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-2,4-dichlorobenzene
SMILESO=S(=O)(/C(Cl)=C/c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C14H9Cl3O2S/c15-11-7-6-10(13(16)9-11)8-14(17)20(18,19)12-4-2-1-3-5-12/h1-9H/b14-8+
InChIKeyPXKJXWCSDWYYLH-RIYZIHGNSA-N
MW347.65 g/mol
LogP5.00
Rot. Bonds3

About 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-2,4-dichlorobenzene

1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-2,4-dichlorobenzene (PubChem CID 44593044) has the molecular formula C14H9Cl3O2S and a molecular weight of 347.65 g/mol. Its IUPAC name is 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-2,4-dichlorobenzene
PubChem CID44593044
Molecular FormulaC14H9Cl3O2S
Molecular Weight347.65 g/mol
Exact Mass345.94
IUPAC Name1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-2,4-dichlorobenzene
SMILESO=S(=O)(/C(Cl)=C/c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C14H9Cl3O2S/c15-11-7-6-10(13(16)9-11)8-14(17)20(18,19)12-4-2-1-3-5-12/h1-9H/b14-8+
InChIKeyPXKJXWCSDWYYLH-RIYZIHGNSA-N
XLogP5.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.65
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-2,4-dichlorobenzene (CID 44593044) is 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-2,4-dichlorobenzene is O=S(=O)(/C(Cl)=C/c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-2,4-dichlorobenzene?
The InChIKey is PXKJXWCSDWYYLH-RIYZIHGNSA-N. The full InChI is InChI=1S/C14H9Cl3O2S/c15-11-7-6-10(13(16)9-11)8-14(17)20(18,19)12-4-2-1-3-5-12/h1-9H/b14-8+.
What are the key properties of 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-2,4-dichlorobenzene?
1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-2,4-dichlorobenzene has a molecular weight of 347.65 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-2,4-dichlorobenzene is sourced from PubChem (CID 44593044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).