4-chloro-3-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide

C16H11Cl2N3O2S — CID 142789589

IUPAC4-chloro-3-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
SMILESNC(=O)c1ccc(Cl)c(-c2nc(=O)n(Cc3ccc(Cl)cc3)s2)c1
InChIInChI=1S/C16H11Cl2N3O2S/c17-11-4-1-9(2-5-11)8-21-16(23)20-15(24-21)12-7-10(14(19)22)3-6-13(12)18/h1-7H,8H2,(H2,19,22)
InChIKeyIIOOQEWCWGPDCF-UHFFFAOYSA-N
MW380.26 g/mol
LogP3.43
Rot. Bonds4

About 4-chloro-3-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide

4-chloro-3-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 142789589) has the molecular formula C16H11Cl2N3O2S and a molecular weight of 380.26 g/mol. Its IUPAC name is 4-chloro-3-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID142789589
Molecular FormulaC16H11Cl2N3O2S
Molecular Weight380.26 g/mol
Exact Mass378.99
IUPAC Name4-chloro-3-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
SMILESNC(=O)c1ccc(Cl)c(-c2nc(=O)n(Cc3ccc(Cl)cc3)s2)c1
InChIInChI=1S/C16H11Cl2N3O2S/c17-11-4-1-9(2-5-11)8-21-16(23)20-15(24-21)12-7-10(14(19)22)3-6-13(12)18/h1-7H,8H2,(H2,19,22)
InChIKeyIIOOQEWCWGPDCF-UHFFFAOYSA-N
XLogP3.43
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of 4-chloro-3-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide (CID 142789589) is 4-chloro-3-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for 4-chloro-3-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for 4-chloro-3-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide is NC(=O)c1ccc(Cl)c(-c2nc(=O)n(Cc3ccc(Cl)cc3)s2)c1.
What is the InChIKey of 4-chloro-3-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is IIOOQEWCWGPDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2S/c17-11-4-1-9(2-5-11)8-21-16(23)20-15(24-21)12-7-10(14(19)22)3-6-13(12)18/h1-7H,8H2,(H2,19,22).
What are the key properties of 4-chloro-3-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
4-chloro-3-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 380.26 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 142789589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).