1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene

C15H12Cl2O2S — CID 141461209

IUPAC1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C(/Cl)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12Cl2O2S/c1-11-2-8-14(9-3-11)20(18,19)10-15(17)12-4-6-13(16)7-5-12/h2-10H,1H3/b15-10+
InChIKeyZPJABNBNAQTQSS-XNTDXEJSSA-N
MW327.23 g/mol
LogP4.66
Rot. Bonds3

About 1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene

1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene (PubChem CID 141461209) has the molecular formula C15H12Cl2O2S and a molecular weight of 327.23 g/mol. Its IUPAC name is 1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene
PubChem CID141461209
Molecular FormulaC15H12Cl2O2S
Molecular Weight327.23 g/mol
Exact Mass325.99
IUPAC Name1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C(/Cl)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12Cl2O2S/c1-11-2-8-14(9-3-11)20(18,19)10-15(17)12-4-6-13(16)7-5-12/h2-10H,1H3/b15-10+
InChIKeyZPJABNBNAQTQSS-XNTDXEJSSA-N
XLogP4.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dichloroethenylsulfonyl)-4-methylbenzene
CID 586997
3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine
CID 141461205
1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene
CID 102129637
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526
1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene
CID 138974047
1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene
CID 74928285
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
1-chloro-4-methylbenzene;formic acid
CID 158103199
(Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one
CID 155812790
2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol
CID 14296310
1-methyl-4-(2-methylbuta-1,3-dienylsulfonyl)benzene
CID 85299579

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene (CID 141461209) is 1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene is Cc1ccc(S(=O)(=O)/C=C(/Cl)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene?
The InChIKey is ZPJABNBNAQTQSS-XNTDXEJSSA-N. The full InChI is InChI=1S/C15H12Cl2O2S/c1-11-2-8-14(9-3-11)20(18,19)10-15(17)12-4-6-13(16)7-5-12/h2-10H,1H3/b15-10+.
What are the key properties of 1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene?
1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene has a molecular weight of 327.23 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 141461209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).