1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene

C15H13ClO2S — CID 14894770

IUPAC1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene
SMILESO=S(=O)(/C=C/c1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO2S/c16-15-8-6-14(7-9-15)12-19(17,18)11-10-13-4-2-1-3-5-13/h1-11H,12H2/b11-10+
InChIKeyVCTUJHZNTIOIPW-ZHACJKMWSA-N
MW292.79 g/mol
LogP3.93
Rot. Bonds4

About 1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene

1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene (PubChem CID 14894770) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene
PubChem CID14894770
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene
SMILESO=S(=O)(/C=C/c1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO2S/c16-15-8-6-14(7-9-15)12-19(17,18)11-10-13-4-2-1-3-5-13/h1-11H,12H2/b11-10+
InChIKeyVCTUJHZNTIOIPW-ZHACJKMWSA-N
XLogP3.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene?
The IUPAC name of 1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene (CID 14894770) is 1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene.
What is the SMILES notation for 1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene?
The canonical SMILES for 1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene is O=S(=O)(/C=C/c1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene?
The InChIKey is VCTUJHZNTIOIPW-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H13ClO2S/c16-15-8-6-14(7-9-15)12-19(17,18)11-10-13-4-2-1-3-5-13/h1-11H,12H2/b11-10+.
What are the key properties of 1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene?
1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene has a molecular weight of 292.79 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene is sourced from PubChem (CID 14894770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).