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

C17H10ClNO2S — CID 3154250

IUPAC4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
SMILESO=C1NC2=C(C(=O)c3ccccc32)C(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)
InChIKeyACNCZDLQNSUHCI-UHFFFAOYSA-N
MW327.79 g/mol
LogP4.45
Rot. Bonds1

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

4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione (PubChem CID 3154250) has the molecular formula C17H10ClNO2S and a molecular weight of 327.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
PubChem CID3154250
Molecular FormulaC17H10ClNO2S
Molecular Weight327.79 g/mol
Exact Mass327.01
IUPAC Name4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
SMILESO=C1NC2=C(C(=O)c3ccccc32)C(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)
InChIKeyACNCZDLQNSUHCI-UHFFFAOYSA-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'}

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Related Compounds

4-(2-chlorophenyl)-2-(methylthio)-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carbonitrile
CID 3487142
2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridin-2-yl]sulfanyl}acetamide
CID 3663140
4-(4-Methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
CID 3148621
4-(3-Methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
CID 3148622
4-Phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
CID 3148620
2-Amino-3-((4-Chlorophenyl)(2-Oxothiazol-3(2H)-Yl)Methyl)Naphthalene-1,4-Dione
CID 137332285
8-(4-Chlorophenyl)-3,10-dioxo-5-thia-2-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene-7-carbonitrile
CID 139233723
2-[(5-Acetyl-3-isocyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
CID 59164557
9-Chloro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
CID 143168973
8-Chloro-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
CID 165011954
(4S)-4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
CID 750204
(4R)-4-phenyl-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
CID 750206

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
The IUPAC name of 4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione (CID 3154250) is 4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione.
What is the SMILES notation for 4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
The canonical SMILES for 4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione is O=C1NC2=C(C(=O)c3ccccc32)C(c2ccc(Cl)cc2)S1.
What is the InChIKey of 4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
The InChIKey is ACNCZDLQNSUHCI-UHFFFAOYSA-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).
What are the key properties of 4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
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 4-(4-chlorophenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione is sourced from PubChem (CID 3154250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).