5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide

C12H8Cl2N2OS — CID 55809433

IUPAC5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide
SMILESNC(=O)c1cnc(Sc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2OS/c13-8-3-1-2-4-10(8)18-12-9(14)5-7(6-16-12)11(15)17/h1-6H,(H2,15,17)
InChIKeyLWMJFPJOFCQERS-UHFFFAOYSA-N
MW299.18 g/mol
LogP3.64
Rot. Bonds3

About 5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide

5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide (PubChem CID 55809433) has the molecular formula C12H8Cl2N2OS and a molecular weight of 299.18 g/mol. Its IUPAC name is 5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide
PubChem CID55809433
Molecular FormulaC12H8Cl2N2OS
Molecular Weight299.18 g/mol
Exact Mass297.97
IUPAC Name5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide
SMILESNC(=O)c1cnc(Sc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2OS/c13-8-3-1-2-4-10(8)18-12-9(14)5-7(6-16-12)11(15)17/h1-6H,(H2,15,17)
InChIKeyLWMJFPJOFCQERS-UHFFFAOYSA-N
XLogP3.64
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide (CID 55809433) is 5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide is NC(=O)c1cnc(Sc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is LWMJFPJOFCQERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2OS/c13-8-3-1-2-4-10(8)18-12-9(14)5-7(6-16-12)11(15)17/h1-6H,(H2,15,17).
What are the key properties of 5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide?
5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 299.18 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 55809433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).