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

C14H13ClN2OS — CID 1224965

IUPAC2-chloro-N-(5-methyl-2-pyridinyl)-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2ccc(C)cn2)c1
InChIInChI=1S/C14H13ClN2OS/c1-9-3-6-13(16-8-9)17-14(18)11-7-10(19-2)4-5-12(11)15/h3-8H,1-2H3,(H,16,17,18)
InChIKeyPCDQCWAMOSJAHJ-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.02
Rot. Bonds3

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

2-chloro-N-(5-methyl-2-pyridinyl)-5-methylsulfanylbenzamide (PubChem CID 1224965) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-2-pyridinyl)-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-2-pyridinyl)-5-methylsulfanylbenzamide
PubChem CID1224965
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name2-chloro-N-(5-methyl-2-pyridinyl)-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2ccc(C)cn2)c1
InChIInChI=1S/C14H13ClN2OS/c1-9-3-6-13(16-8-9)17-14(18)11-7-10(19-2)4-5-12(11)15/h3-8H,1-2H3,(H,16,17,18)
InChIKeyPCDQCWAMOSJAHJ-UHFFFAOYSA-N
XLogP4.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-2-pyridinyl)-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-(5-methyl-2-pyridinyl)-5-methylsulfanylbenzamide (CID 1224965) is 2-chloro-N-(5-methyl-2-pyridinyl)-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-2-pyridinyl)-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(5-methyl-2-pyridinyl)-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)Nc2ccc(C)cn2)c1.
What is the InChIKey of 2-chloro-N-(5-methyl-2-pyridinyl)-5-methylsulfanylbenzamide?
The InChIKey is PCDQCWAMOSJAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-9-3-6-13(16-8-9)17-14(18)11-7-10(19-2)4-5-12(11)15/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(5-methyl-2-pyridinyl)-5-methylsulfanylbenzamide?
2-chloro-N-(5-methyl-2-pyridinyl)-5-methylsulfanylbenzamide has a molecular weight of 292.79 g/mol, XLogP of 4.02, 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-methyl-2-pyridinyl)-5-methylsulfanylbenzamide is sourced from PubChem (CID 1224965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).