1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene

C16H15ClO3S — CID 22065292

IUPAC1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene
SMILESCOc1ccc(CS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO3S/c1-20-16-8-4-14(5-9-16)12-21(18,19)11-10-13-2-6-15(17)7-3-13/h2-11H,12H2,1H3/b11-10+
InChIKeyCSRLHRFDXCGWPJ-ZHACJKMWSA-N
MW322.81 g/mol
LogP3.93
Rot. Bonds5

About 1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene

1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene (PubChem CID 22065292) has the molecular formula C16H15ClO3S and a molecular weight of 322.81 g/mol. Its IUPAC name is 1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene
PubChem CID22065292
Molecular FormulaC16H15ClO3S
Molecular Weight322.81 g/mol
Exact Mass322.04
IUPAC Name1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene
SMILESCOc1ccc(CS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO3S/c1-20-16-8-4-14(5-9-16)12-21(18,19)11-10-13-2-6-15(17)7-3-13/h2-11H,12H2,1H3/b11-10+
InChIKeyCSRLHRFDXCGWPJ-ZHACJKMWSA-N
XLogP3.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene?
The IUPAC name of 1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene (CID 22065292) is 1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene?
The canonical SMILES for 1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene is COc1ccc(CS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene?
The InChIKey is CSRLHRFDXCGWPJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H15ClO3S/c1-20-16-8-4-14(5-9-16)12-21(18,19)11-10-13-2-6-15(17)7-3-13/h2-11H,12H2,1H3/b11-10+.
What are the key properties of 1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene?
1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene has a molecular weight of 322.81 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene is sourced from PubChem (CID 22065292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).