4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione

C11H9Cl2NO3S — CID 1478967

IUPAC4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione
SMILESO=C1CS(=O)CC(=O)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2NO3S/c12-8-2-1-7(3-9(8)13)4-14-10(15)5-18(17)6-11(14)16/h1-3H,4-6H2
InChIKeyBHAWJOHZTFCGTE-UHFFFAOYSA-N
MW306.17 g/mol
LogP1.61
Rot. Bonds2

About 4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione

4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione (PubChem CID 1478967) has the molecular formula C11H9Cl2NO3S and a molecular weight of 306.17 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione
PubChem CID1478967
Molecular FormulaC11H9Cl2NO3S
Molecular Weight306.17 g/mol
Exact Mass304.97
IUPAC Name4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione
SMILESO=C1CS(=O)CC(=O)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2NO3S/c12-8-2-1-7(3-9(8)13)4-14-10(15)5-18(17)6-11(14)16/h1-3H,4-6H2
InChIKeyBHAWJOHZTFCGTE-UHFFFAOYSA-N
XLogP1.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 51.61
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 4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione (CID 1478967) is 4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione is O=C1CS(=O)CC(=O)N1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione?
The InChIKey is BHAWJOHZTFCGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO3S/c12-8-2-1-7(3-9(8)13)4-14-10(15)5-18(17)6-11(14)16/h1-3H,4-6H2.
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione?
4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione has a molecular weight of 306.17 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione is sourced from PubChem (CID 1478967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).