2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide

C14H7Cl3F2N2O3S — CID 177238629

IUPAC2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide
SMILESNC(=O)c1ccc(Cl)c(Sc2cc(C(F)(F)Cl)[nH]c(=O)c2C=O)c1Cl
InChIInChI=1S/C14H7Cl3F2N2O3S/c15-7-2-1-5(12(20)23)10(16)11(7)25-8-3-9(14(17,18)19)21-13(24)6(8)4-22/h1-4H,(H2,20,23)(H,21,24)
InChIKeyXTKSZHFPJSNKLN-UHFFFAOYSA-N
MW427.64 g/mol
LogP4.03
Rot. Bonds5

About 2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide

2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide (PubChem CID 177238629) has the molecular formula C14H7Cl3F2N2O3S and a molecular weight of 427.64 g/mol. Its IUPAC name is 2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide
PubChem CID177238629
Molecular FormulaC14H7Cl3F2N2O3S
Molecular Weight427.64 g/mol
Exact Mass425.92
IUPAC Name2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide
SMILESNC(=O)c1ccc(Cl)c(Sc2cc(C(F)(F)Cl)[nH]c(=O)c2C=O)c1Cl
InChIInChI=1S/C14H7Cl3F2N2O3S/c15-7-2-1-5(12(20)23)10(16)11(7)25-8-3-9(14(17,18)19)21-13(24)6(8)4-22/h1-4H,(H2,20,23)(H,21,24)
InChIKeyXTKSZHFPJSNKLN-UHFFFAOYSA-N
XLogP4.03
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.64
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide?
The IUPAC name of 2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide (CID 177238629) is 2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide.
What is the SMILES notation for 2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide?
The canonical SMILES for 2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide is NC(=O)c1ccc(Cl)c(Sc2cc(C(F)(F)Cl)[nH]c(=O)c2C=O)c1Cl.
What is the InChIKey of 2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide?
The InChIKey is XTKSZHFPJSNKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3F2N2O3S/c15-7-2-1-5(12(20)23)10(16)11(7)25-8-3-9(14(17,18)19)21-13(24)6(8)4-22/h1-4H,(H2,20,23)(H,21,24).
What are the key properties of 2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide?
2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide has a molecular weight of 427.64 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-[[6-[chloro(difluoro)methyl]-3-formyl-2-oxo-1H-pyridin-4-yl]sulfanyl]benzamide is sourced from PubChem (CID 177238629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).