3-(2,4,5-trichlorophenyl)sulfanylpiperidine-2,6-dione

C11H8Cl3NO2S — CID 142623515

IUPAC3-(2,4,5-trichlorophenyl)sulfanylpiperidine-2,6-dione
SMILESO=C1CCC(Sc2cc(Cl)c(Cl)cc2Cl)C(=O)N1
InChIInChI=1S/C11H8Cl3NO2S/c12-5-3-7(14)9(4-6(5)13)18-8-1-2-10(16)15-11(8)17/h3-4,8H,1-2H2,(H,15,16,17)
InChIKeyPYOSQHCRXMIYNU-UHFFFAOYSA-N
MW324.62 g/mol
LogP3.54
Rot. Bonds2

About 3-(2,4,5-trichlorophenyl)sulfanylpiperidine-2,6-dione

3-(2,4,5-trichlorophenyl)sulfanylpiperidine-2,6-dione (PubChem CID 142623515) has the molecular formula C11H8Cl3NO2S and a molecular weight of 324.62 g/mol. Its IUPAC name is 3-(2,4,5-trichlorophenyl)sulfanylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(2,4,5-trichlorophenyl)sulfanylpiperidine-2,6-dione
PubChem CID142623515
Molecular FormulaC11H8Cl3NO2S
Molecular Weight324.62 g/mol
Exact Mass322.93
IUPAC Name3-(2,4,5-trichlorophenyl)sulfanylpiperidine-2,6-dione
SMILESO=C1CCC(Sc2cc(Cl)c(Cl)cc2Cl)C(=O)N1
InChIInChI=1S/C11H8Cl3NO2S/c12-5-3-7(14)9(4-6(5)13)18-8-1-2-10(16)15-11(8)17/h3-4,8H,1-2H2,(H,15,16,17)
InChIKeyPYOSQHCRXMIYNU-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.62
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,5-trichlorophenyl)sulfanylpiperidine-2,6-dione?
The IUPAC name of 3-(2,4,5-trichlorophenyl)sulfanylpiperidine-2,6-dione (CID 142623515) is 3-(2,4,5-trichlorophenyl)sulfanylpiperidine-2,6-dione.
What is the SMILES notation for 3-(2,4,5-trichlorophenyl)sulfanylpiperidine-2,6-dione?
The canonical SMILES for 3-(2,4,5-trichlorophenyl)sulfanylpiperidine-2,6-dione is O=C1CCC(Sc2cc(Cl)c(Cl)cc2Cl)C(=O)N1.
What is the InChIKey of 3-(2,4,5-trichlorophenyl)sulfanylpiperidine-2,6-dione?
The InChIKey is PYOSQHCRXMIYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3NO2S/c12-5-3-7(14)9(4-6(5)13)18-8-1-2-10(16)15-11(8)17/h3-4,8H,1-2H2,(H,15,16,17).
What are the key properties of 3-(2,4,5-trichlorophenyl)sulfanylpiperidine-2,6-dione?
3-(2,4,5-trichlorophenyl)sulfanylpiperidine-2,6-dione has a molecular weight of 324.62 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,5-trichlorophenyl)sulfanylpiperidine-2,6-dione is sourced from PubChem (CID 142623515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).