4-benzyl-2-(3,4-dichlorophenyl)-1,2,4-thiadiazolidine-3,5-dione

C15H10Cl2N2O2S — CID 70692382

IUPAC4-benzyl-2-(3,4-dichlorophenyl)-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C15H10Cl2N2O2S/c16-12-7-6-11(8-13(12)17)19-14(20)18(15(21)22-19)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyIZKCQXJLQBPUNV-UHFFFAOYSA-N
MW353.23 g/mol
LogP3.42
Rot. Bonds3

About 4-benzyl-2-(3,4-dichlorophenyl)-1,2,4-thiadiazolidine-3,5-dione

4-benzyl-2-(3,4-dichlorophenyl)-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 70692382) has the molecular formula C15H10Cl2N2O2S and a molecular weight of 353.23 g/mol. Its IUPAC name is 4-benzyl-2-(3,4-dichlorophenyl)-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-benzyl-2-(3,4-dichlorophenyl)-1,2,4-thiadiazolidine-3,5-dione
PubChem CID70692382
Molecular FormulaC15H10Cl2N2O2S
Molecular Weight353.23 g/mol
Exact Mass351.98
IUPAC Name4-benzyl-2-(3,4-dichlorophenyl)-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C15H10Cl2N2O2S/c16-12-7-6-11(8-13(12)17)19-14(20)18(15(21)22-19)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyIZKCQXJLQBPUNV-UHFFFAOYSA-N
XLogP3.42
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(3,4-dichlorophenyl)-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-benzyl-2-(3,4-dichlorophenyl)-1,2,4-thiadiazolidine-3,5-dione (CID 70692382) is 4-benzyl-2-(3,4-dichlorophenyl)-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-benzyl-2-(3,4-dichlorophenyl)-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-benzyl-2-(3,4-dichlorophenyl)-1,2,4-thiadiazolidine-3,5-dione is O=c1sn(-c2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-(3,4-dichlorophenyl)-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is IZKCQXJLQBPUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S/c16-12-7-6-11(8-13(12)17)19-14(20)18(15(21)22-19)9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 4-benzyl-2-(3,4-dichlorophenyl)-1,2,4-thiadiazolidine-3,5-dione?
4-benzyl-2-(3,4-dichlorophenyl)-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 353.23 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(3,4-dichlorophenyl)-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 70692382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).