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

C15H13ClO2S — CID 10979228

IUPAC1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO2S/c1-12-2-8-15(9-3-12)19(17,18)11-10-13-4-6-14(16)7-5-13/h2-11H,1H3/b11-10+
InChIKeyZTANDMOVOHKLEH-ZHACJKMWSA-N
MW292.79 g/mol
LogP4.09
Rot. Bonds3

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

1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene (PubChem CID 10979228) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene
PubChem CID10979228
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO2S/c1-12-2-8-15(9-3-12)19(17,18)11-10-13-4-6-14(16)7-5-13/h2-11H,1H3/b11-10+
InChIKeyZTANDMOVOHKLEH-ZHACJKMWSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene (CID 10979228) is 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene is Cc1ccc(S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene?
The InChIKey is ZTANDMOVOHKLEH-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H13ClO2S/c1-12-2-8-15(9-3-12)19(17,18)11-10-13-4-6-14(16)7-5-13/h2-11H,1H3/b11-10+.
What are the key properties of 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene?
1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene has a molecular weight of 292.79 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 10979228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).