3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

C16H10ClFN2O2S — CID 2976227

IUPAC3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESO=C1CSC2(C(=O)Nc3ccccc32)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H10ClFN2O2S/c17-11-7-9(5-6-12(11)18)20-14(21)8-23-16(20)10-3-1-2-4-13(10)19-15(16)22/h1-7H,8H2,(H,19,22)
InChIKeyPEEMRBXPFPXOAI-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.36
Rot. Bonds1

About 3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (PubChem CID 2976227) has the molecular formula C16H10ClFN2O2S and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
PubChem CID2976227
Molecular FormulaC16H10ClFN2O2S
Molecular Weight348.79 g/mol
Exact Mass348.01
IUPAC Name3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESO=C1CSC2(C(=O)Nc3ccccc32)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H10ClFN2O2S/c17-11-7-9(5-6-12(11)18)20-14(21)8-23-16(20)10-3-1-2-4-13(10)19-15(16)22/h1-7H,8H2,(H,19,22)
InChIKeyPEEMRBXPFPXOAI-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (CID 2976227) is 3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is O=C1CSC2(C(=O)Nc3ccccc32)N1c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The InChIKey is PEEMRBXPFPXOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O2S/c17-11-7-9(5-6-12(11)18)20-14(21)8-23-16(20)10-3-1-2-4-13(10)19-15(16)22/h1-7H,8H2,(H,19,22).
What are the key properties of 3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione has a molecular weight of 348.79 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 2976227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).