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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Related Compounds

2-chloro-N-(5-chloropyridin-2-yl)-5-methylsulfanylbenzamide
CID 690117
2-(2-chloro-6-fluorophenyl)-N-(4-methylpyridin-2-yl)acetamide
CID 3158234
N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide
CID 1246828
3-chloro-N-(pyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 805019
N-(5-Chloro-pyridin-2-yl)-3-(piperidine-1-sulfonyl)-benzamide
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
CID 878799
2-(4-chlorophenyl)-N-(5-methylpyridin-2-yl)acetamide
CID 903280
(E)-N-(5-chloropyridin-2-yl)-2-methyl-3-phenylprop-2-enamide
CID 2190627
N-((5-chloropyridin-2-yl)carbamoyl)benzamide
CID 2987279
3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 4557860

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).