(4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione

C17H10ClNO2S — CID 899538

IUPAC(4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
SMILESO=C1NC2=C(C(=O)c3ccccc32)[C@@H](c2ccc(Cl)cc2)S1
InChIInChI=1S/C17H10ClNO2S/c18-10-7-5-9(6-8-10)16-13-14(19-17(21)22-16)11-3-1-2-4-12(11)15(13)20/h1-8,16H,(H,19,21)/t16-/m1/s1
InChIKeyACNCZDLQNSUHCI-MRXNPFEDSA-N
MW327.79 g/mol
LogP4.45
Rot. Bonds1

About (4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione

(4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione (PubChem CID 899538) has the molecular formula C17H10ClNO2S and a molecular weight of 327.79 g/mol. Its IUPAC name is (4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
PubChem CID899538
Molecular FormulaC17H10ClNO2S
Molecular Weight327.79 g/mol
Exact Mass327.01
IUPAC Name(4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
SMILESO=C1NC2=C(C(=O)c3ccccc32)[C@@H](c2ccc(Cl)cc2)S1
InChIInChI=1S/C17H10ClNO2S/c18-10-7-5-9(6-8-10)16-13-14(19-17(21)22-16)11-3-1-2-4-12(11)15(13)20/h1-8,16H,(H,19,21)/t16-/m1/s1
InChIKeyACNCZDLQNSUHCI-MRXNPFEDSA-N
XLogP4.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
The IUPAC name of (4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione (CID 899538) is (4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione.
What is the SMILES notation for (4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
The canonical SMILES for (4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione is O=C1NC2=C(C(=O)c3ccccc32)[C@@H](c2ccc(Cl)cc2)S1.
What is the InChIKey of (4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
The InChIKey is ACNCZDLQNSUHCI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H10ClNO2S/c18-10-7-5-9(6-8-10)16-13-14(19-17(21)22-16)11-3-1-2-4-12(11)15(13)20/h1-8,16H,(H,19,21)/t16-/m1/s1.
What are the key properties of (4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
(4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione has a molecular weight of 327.79 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione is sourced from PubChem (CID 899538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).