3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one

C22H15ClO3S2 — CID 142639463

IUPAC3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
SMILESCS(=O)(=O)c1ccc(-c2sc3ccccc3c(=O)c2-c2ccccc2Cl)cc1
InChIInChI=1S/C22H15ClO3S2/c1-28(25,26)15-12-10-14(11-13-15)22-20(16-6-2-4-8-18(16)23)21(24)17-7-3-5-9-19(17)27-22/h2-13H,1H3
InChIKeyALODCMFUCVSLIS-UHFFFAOYSA-N
MW426.95 g/mol
LogP5.65
Rot. Bonds3

About 3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one

3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one (PubChem CID 142639463) has the molecular formula C22H15ClO3S2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
PubChem CID142639463
Molecular FormulaC22H15ClO3S2
Molecular Weight426.95 g/mol
Exact Mass426.02
IUPAC Name3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
SMILESCS(=O)(=O)c1ccc(-c2sc3ccccc3c(=O)c2-c2ccccc2Cl)cc1
InChIInChI=1S/C22H15ClO3S2/c1-28(25,26)15-12-10-14(11-13-15)22-20(16-6-2-4-8-18(16)23)21(24)17-7-3-5-9-19(17)27-22/h2-13H,1H3
InChIKeyALODCMFUCVSLIS-UHFFFAOYSA-N
XLogP5.65
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.95
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyphenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639457
3-(4-chloro-3-methoxyphenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639321
3-(5-chlorofuran-2-yl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639274
3-(2,4-dimethylthiophen-3-yl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639462
3-(4-ethylphenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639276
4-[3-(2-chloro-4-methylphenyl)-4-oxothiochromen-2-yl]benzenesulfonamide
CID 142639322
3-(3,4-dimethoxyphenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639417
3-(4-methyl-1,3-benzodioxol-5-yl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639441
3-(4-butoxyphenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639311
3-(1-benzofuran-5-yl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639654
3-(3-ethyl-4-methoxyphenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639574
4-[3-(4-ethylphenyl)-4-oxothiochromen-2-yl]benzenesulfonamide
CID 142639581

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one?
The IUPAC name of 3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one (CID 142639463) is 3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one is CS(=O)(=O)c1ccc(-c2sc3ccccc3c(=O)c2-c2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one?
The InChIKey is ALODCMFUCVSLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClO3S2/c1-28(25,26)15-12-10-14(11-13-15)22-20(16-6-2-4-8-18(16)23)21(24)17-7-3-5-9-19(17)27-22/h2-13H,1H3.
What are the key properties of 3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one?
3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one has a molecular weight of 426.95 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one is sourced from PubChem (CID 142639463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).