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

C17H15ClO2S — CID 14929190

IUPAC1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene
SMILESCc1ccc(/C=C/S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClO2S/c1-14-2-4-15(5-3-14)10-12-21(19,20)13-11-16-6-8-17(18)9-7-16/h2-13H,1H3/b12-10+,13-11+
InChIKeyXWAMFZAALJWAJE-DCIPZJNNSA-N
MW318.83 g/mol
LogP4.70
Rot. Bonds4

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

1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene (PubChem CID 14929190) has the molecular formula C17H15ClO2S and a molecular weight of 318.83 g/mol. Its IUPAC name is 1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene
PubChem CID14929190
Molecular FormulaC17H15ClO2S
Molecular Weight318.83 g/mol
Exact Mass318.05
IUPAC Name1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene
SMILESCc1ccc(/C=C/S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClO2S/c1-14-2-4-15(5-3-14)10-12-21(19,20)13-11-16-6-8-17(18)9-7-16/h2-13H,1H3/b12-10+,13-11+
InChIKeyXWAMFZAALJWAJE-DCIPZJNNSA-N
XLogP4.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene?
The IUPAC name of 1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene (CID 14929190) is 1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene.
What is the SMILES notation for 1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene?
The canonical SMILES for 1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene is Cc1ccc(/C=C/S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene?
The InChIKey is XWAMFZAALJWAJE-DCIPZJNNSA-N. The full InChI is InChI=1S/C17H15ClO2S/c1-14-2-4-15(5-3-14)10-12-21(19,20)13-11-16-6-8-17(18)9-7-16/h2-13H,1H3/b12-10+,13-11+.
What are the key properties of 1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene?
1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene has a molecular weight of 318.83 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene is sourced from PubChem (CID 14929190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).