(E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one

C15H10Cl2O3S — CID 13280987

IUPAC(E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one
SMILESO=C(/C=C/S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2O3S/c16-12-3-1-11(2-4-12)15(18)9-10-21(19,20)14-7-5-13(17)6-8-14/h1-10H/b10-9+
InChIKeyKAEAUIYLUCZMTO-MDZDMXLPSA-N
MW341.22 g/mol
LogP4.16
Rot. Bonds4

About (E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one

(E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one (PubChem CID 13280987) has the molecular formula C15H10Cl2O3S and a molecular weight of 341.22 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one
PubChem CID13280987
Molecular FormulaC15H10Cl2O3S
Molecular Weight341.22 g/mol
Exact Mass339.97
IUPAC Name(E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one
SMILESO=C(/C=C/S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2O3S/c16-12-3-1-11(2-4-12)15(18)9-10-21(19,20)14-7-5-13(17)6-8-14/h1-10H/b10-9+
InChIKeyKAEAUIYLUCZMTO-MDZDMXLPSA-N
XLogP4.16
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one
CID 2825859
3-(4-bromophenyl)sulfonyl-1-(4-chlorophenyl)prop-2-en-1-one
CID 2825861
3-(4-chlorophenyl)sulfonyl-1-phenylprop-2-en-1-one
CID 2825843
sodium 4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzoate
CID 102342332
(E)-1-phenyl-3-[4-(trifluoromethyl)phenyl]sulfonylprop-2-en-1-one
CID 175599092
1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene
CID 11430477
(E)-3-(3-chloro-4-fluorophenyl)sulfonylprop-2-enoic acid
CID 106435730
1-(4-chlorophenyl)-3-methylsulfanylprop-2-en-1-one
CID 71412264
(E)-1-(4-chlorophenyl)-4-methylpent-2-en-1-one
CID 12881546
4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]benzoate
CID 7918870
(E)-4-(4-chlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide
CID 13067056
(E)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)but-2-ene-1,4-dione
CID 102100444

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one (CID 13280987) is (E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one is O=C(/C=C/S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one?
The InChIKey is KAEAUIYLUCZMTO-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H10Cl2O3S/c16-12-3-1-11(2-4-12)15(18)9-10-21(19,20)14-7-5-13(17)6-8-14/h1-10H/b10-9+.
What are the key properties of (E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one?
(E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one has a molecular weight of 341.22 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one is sourced from PubChem (CID 13280987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).