2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide

C13H10Cl2N2OS — CID 690117

IUPAC2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C13H10Cl2N2OS/c1-19-9-3-4-11(15)10(6-9)13(18)17-12-5-2-8(14)7-16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyRUDWVHZJOOQLSP-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.36
Rot. Bonds3

About 2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide

2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide (PubChem CID 690117) has the molecular formula C13H10Cl2N2OS and a molecular weight of 313.21 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide
PubChem CID690117
Molecular FormulaC13H10Cl2N2OS
Molecular Weight313.21 g/mol
Exact Mass311.99
IUPAC Name2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C13H10Cl2N2OS/c1-19-9-3-4-11(15)10(6-9)13(18)17-12-5-2-8(14)7-16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyRUDWVHZJOOQLSP-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide
CID 1246828
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CID 1124159
Benzamide, N-(5-chloro-2-pyridinyl)-2-fluoro-
CID 36851
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylsulfanylbenzamide
CID 44565740
2-chloro-4,5-difluoro-N-(5-methylpyridin-2-yl)benzamide
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2-chloro-N-(5-methylpyridin-2-yl)-5-methylsulfanylbenzamide
CID 1224965
(E)-N-(5-chloropyridin-2-yl)-2-methyl-3-phenylprop-2-enamide
CID 2190627
N-((5-chloropyridin-2-yl)carbamoyl)benzamide
CID 2987279
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
N-(5-chloropyridin-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 1039727
N-(3-chloro-2-pyridinyl)-2-phenyl-2-(phenylsulfanyl)acetamide
CID 3915320
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CID 644704

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide (CID 690117) is 2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of 2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide?
The InChIKey is RUDWVHZJOOQLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2OS/c1-19-9-3-4-11(15)10(6-9)13(18)17-12-5-2-8(14)7-16-12/h2-7H,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide?
2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide has a molecular weight of 313.21 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide is sourced from PubChem (CID 690117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).