(5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

C18H11FN2O4S2 — CID 18973365

IUPAC(5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccc3c2ccn3S(=O)(=O)c2ccc(F)cc2)S1
InChIInChI=1S/C18H11FN2O4S2/c19-12-4-6-13(7-5-12)27(24,25)21-9-8-14-11(2-1-3-15(14)21)10-16-17(22)20-18(23)26-16/h1-10H,(H,20,22,23)/b16-10-
InChIKeyCMXOQXLQHYCAEX-YBEGLDIGSA-N
MW402.43 g/mol
LogP3.34
Rot. Bonds3

About (5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18973365) has the molecular formula C18H11FN2O4S2 and a molecular weight of 402.43 g/mol. Its IUPAC name is (5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18973365
Molecular FormulaC18H11FN2O4S2
Molecular Weight402.43 g/mol
Exact Mass402.01
IUPAC Name(5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccc3c2ccn3S(=O)(=O)c2ccc(F)cc2)S1
InChIInChI=1S/C18H11FN2O4S2/c19-12-4-6-13(7-5-12)27(24,25)21-9-8-14-11(2-1-3-15(14)21)10-16-17(22)20-18(23)26-16/h1-10H,(H,20,22,23)/b16-10-
InChIKeyCMXOQXLQHYCAEX-YBEGLDIGSA-N
XLogP3.34
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 18973365) is (5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cccc3c2ccn3S(=O)(=O)c2ccc(F)cc2)S1.
What is the InChIKey of (5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is CMXOQXLQHYCAEX-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H11FN2O4S2/c19-12-4-6-13(7-5-12)27(24,25)21-9-8-14-11(2-1-3-15(14)21)10-16-17(22)20-18(23)26-16/h1-10H,(H,20,22,23)/b16-10-.
What are the key properties of (5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 402.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[1-(4-fluorophenyl)sulfonylindol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18973365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).