4-naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione

C13H9NO4S2 — CID 22678066

IUPAC4-naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione
SMILESO=C1NC(S(=O)(=O)c2cccc3ccccc23)C(=O)S1
InChIInChI=1S/C13H9NO4S2/c15-12-11(14-13(16)19-12)20(17,18)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,(H,14,16)
InChIKeyHPMLFJBVJNRWGQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.92
Rot. Bonds2

About 4-naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione

4-naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione (PubChem CID 22678066) has the molecular formula C13H9NO4S2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione
PubChem CID22678066
Molecular FormulaC13H9NO4S2
Molecular Weight307.35 g/mol
Exact Mass307.00
IUPAC Name4-naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione
SMILESO=C1NC(S(=O)(=O)c2cccc3ccccc23)C(=O)S1
InChIInChI=1S/C13H9NO4S2/c15-12-11(14-13(16)19-12)20(17,18)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,(H,14,16)
InChIKeyHPMLFJBVJNRWGQ-UHFFFAOYSA-N
XLogP1.92
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione?
The IUPAC name of 4-naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione (CID 22678066) is 4-naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione is O=C1NC(S(=O)(=O)c2cccc3ccccc23)C(=O)S1.
What is the InChIKey of 4-naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione?
The InChIKey is HPMLFJBVJNRWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4S2/c15-12-11(14-13(16)19-12)20(17,18)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,(H,14,16).
What are the key properties of 4-naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione?
4-naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione has a molecular weight of 307.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 22678066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).