3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one

C15H12ClNO4S — CID 10088465

IUPAC3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one
SMILESCC1(c2ccccc2)OS(=O)(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H12ClNO4S/c1-15(11-5-3-2-4-6-11)14(18)17(22(19,20)21-15)13-9-7-12(16)8-10-13/h2-10H,1H3
InChIKeyLVZTWNZLVJUQMD-UHFFFAOYSA-N
MW337.78 g/mol
LogP2.86
Rot. Bonds2

About 3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one

3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one (PubChem CID 10088465) has the molecular formula C15H12ClNO4S and a molecular weight of 337.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one
PubChem CID10088465
Molecular FormulaC15H12ClNO4S
Molecular Weight337.78 g/mol
Exact Mass337.02
IUPAC Name3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one
SMILESCC1(c2ccccc2)OS(=O)(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H12ClNO4S/c1-15(11-5-3-2-4-6-11)14(18)17(22(19,20)21-15)13-9-7-12(16)8-10-13/h2-10H,1H3
InChIKeyLVZTWNZLVJUQMD-UHFFFAOYSA-N
XLogP2.86
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one
CID 14787865
3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one
CID 54721464
5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane
CID 14809978
4,5,5-trichloro-4-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidin-3-one
CID 21393548
2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid
CID 21155109
3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one
CID 132532149
2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one
CID 134094277
1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one
CID 71556470
(2S)-6-(4-chlorophenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one
CID 1294536
(1R,4S,5S)-4-(4-chlorophenyl)-1,6-dimethyl-5-phenyl-3-oxa-6-azabicyclo[3.1.0]hexan-2-one
CID 102209411
(3S)-6-tert-butyl-3,5-dichloro-1-(4-chlorophenyl)-3-phenylpyridine-2,4-dione
CID 7171145
1-(4-chlorophenyl)-3-methyl-3-phenylpiperazine
CID 64924864

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one (CID 10088465) is 3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one is CC1(c2ccccc2)OS(=O)(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one?
The InChIKey is LVZTWNZLVJUQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4S/c1-15(11-5-3-2-4-6-11)14(18)17(22(19,20)21-15)13-9-7-12(16)8-10-13/h2-10H,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one?
3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one has a molecular weight of 337.78 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one is sourced from PubChem (CID 10088465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).