3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one

C22H14Cl2O4S — CID 142639106

IUPAC3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
SMILESCS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C22H14Cl2O4S/c1-29(26,27)14-11-9-13(10-12-14)22-20(19-16(23)6-4-7-17(19)24)21(25)15-5-2-3-8-18(15)28-22/h2-12H,1H3
InChIKeyIEUVPBZBZGOUHD-UHFFFAOYSA-N
MW445.32 g/mol
LogP5.84
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one

3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one (PubChem CID 142639106) has the molecular formula C22H14Cl2O4S and a molecular weight of 445.32 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
PubChem CID142639106
Molecular FormulaC22H14Cl2O4S
Molecular Weight445.32 g/mol
Exact Mass444.00
IUPAC Name3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
SMILESCS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C22H14Cl2O4S/c1-29(26,27)14-11-9-13(10-12-14)22-20(19-16(23)6-4-7-17(19)24)21(25)15-5-2-3-8-18(15)28-22/h2-12H,1H3
InChIKeyIEUVPBZBZGOUHD-UHFFFAOYSA-N
XLogP5.84
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.32
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324974
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324902
3-(4-hydroxyphenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324893
3-(4-chloro-3-methoxyphenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 142639582
4-[4-oxo-3-(2,4,6-trichlorophenyl)chromen-2-yl]benzenesulfonamide
CID 142639381
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)chromene-4-thione
CID 18324932
3-(3-chloro-4-fluorophenyl)-2-(4-methylsulfonylphenyl)chromene-4-thione
CID 18324977
4-[3-(3-methylphenyl)-4-oxochromen-2-yl]benzenesulfonamide
CID 18324999
4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide
CID 142639086
methanesulfonic acid;3-methyl-2-phenylchromen-4-one
CID 172814371
7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one
CID 18324965
3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639463

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one (CID 142639106) is 3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one is CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one?
The InChIKey is IEUVPBZBZGOUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2O4S/c1-29(26,27)14-11-9-13(10-12-14)22-20(19-16(23)6-4-7-17(19)24)21(25)15-5-2-3-8-18(15)28-22/h2-12H,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one?
3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one has a molecular weight of 445.32 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one is sourced from PubChem (CID 142639106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).