2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione

C16H11Cl2NO3S — CID 2765202

IUPAC2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione
SMILESO=C1CS(=O)C(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl2NO3S/c17-11-3-1-10(2-4-11)15-16(21)19(14(20)9-23(15)22)13-7-5-12(18)6-8-13/h1-8,15H,9H2
InChIKeyUOHXQBPQDDPQCN-UHFFFAOYSA-N
MW368.24 g/mol
LogP3.36
Rot. Bonds2

About 2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione

2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione (PubChem CID 2765202) has the molecular formula C16H11Cl2NO3S and a molecular weight of 368.24 g/mol. Its IUPAC name is 2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione.

Molecular Properties

Compound Name2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione
PubChem CID2765202
Molecular FormulaC16H11Cl2NO3S
Molecular Weight368.24 g/mol
Exact Mass366.98
IUPAC Name2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione
SMILESO=C1CS(=O)C(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl2NO3S/c17-11-3-1-10(2-4-11)15-16(21)19(14(20)9-23(15)22)13-7-5-12(18)6-8-13/h1-8,15H,9H2
InChIKeyUOHXQBPQDDPQCN-UHFFFAOYSA-N
XLogP3.36
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione?
The IUPAC name of 2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione (CID 2765202) is 2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione.
What is the SMILES notation for 2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione?
The canonical SMILES for 2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione is O=C1CS(=O)C(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione?
The InChIKey is UOHXQBPQDDPQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO3S/c17-11-3-1-10(2-4-11)15-16(21)19(14(20)9-23(15)22)13-7-5-12(18)6-8-13/h1-8,15H,9H2.
What are the key properties of 2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione?
2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione has a molecular weight of 368.24 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione is sourced from PubChem (CID 2765202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).