2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one

C21H16ClNO4S — CID 3875714

IUPAC2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CS(=O)(=O)C(c2ccc(Cl)cc2)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H16ClNO4S/c22-16-8-6-15(7-9-16)21-23(20(24)14-28(21,25)26)17-10-12-19(13-11-17)27-18-4-2-1-3-5-18/h1-13,21H,14H2
InChIKeyNAINPPQGHYFAOO-UHFFFAOYSA-N
MW413.88 g/mol
LogP4.59
Rot. Bonds4

About 2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one

2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3875714) has the molecular formula C21H16ClNO4S and a molecular weight of 413.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3875714
Molecular FormulaC21H16ClNO4S
Molecular Weight413.88 g/mol
Exact Mass413.05
IUPAC Name2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CS(=O)(=O)C(c2ccc(Cl)cc2)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H16ClNO4S/c22-16-8-6-15(7-9-16)21-23(20(24)14-28(21,25)26)17-10-12-19(13-11-17)27-18-4-2-1-3-5-18/h1-13,21H,14H2
InChIKeyNAINPPQGHYFAOO-UHFFFAOYSA-N
XLogP4.59
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one (CID 3875714) is 2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one is O=C1CS(=O)(=O)C(c2ccc(Cl)cc2)N1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is NAINPPQGHYFAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO4S/c22-16-8-6-15(7-9-16)21-23(20(24)14-28(21,25)26)17-10-12-19(13-11-17)27-18-4-2-1-3-5-18/h1-13,21H,14H2.
What are the key properties of 2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 413.88 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3875714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).