2-methyl-6-(pyridin-2-yldisulfanyl)benzamide

C13H12N2OS2 — CID 154629641

IUPAC2-methyl-6-(pyridin-2-yldisulfanyl)benzamide
SMILESCc1cccc(SSc2ccccn2)c1C(N)=O
InChIInChI=1S/C13H12N2OS2/c1-9-5-4-6-10(12(9)13(14)16)17-18-11-7-2-3-8-15-11/h2-8H,1H3,(H2,14,16)
InChIKeyDQKJOZRAKOATTQ-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.29
Rot. Bonds4

About 2-methyl-6-(pyridin-2-yldisulfanyl)benzamide

2-methyl-6-(pyridin-2-yldisulfanyl)benzamide (PubChem CID 154629641) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-methyl-6-(pyridin-2-yldisulfanyl)benzamide.

Molecular Properties

Compound Name2-methyl-6-(pyridin-2-yldisulfanyl)benzamide
PubChem CID154629641
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Name2-methyl-6-(pyridin-2-yldisulfanyl)benzamide
SMILESCc1cccc(SSc2ccccn2)c1C(N)=O
InChIInChI=1S/C13H12N2OS2/c1-9-5-4-6-10(12(9)13(14)16)17-18-11-7-2-3-8-15-11/h2-8H,1H3,(H2,14,16)
InChIKeyDQKJOZRAKOATTQ-UHFFFAOYSA-N
XLogP3.29
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pyridin-2-yldisulfanyl)benzamide?
The IUPAC name of 2-methyl-6-(pyridin-2-yldisulfanyl)benzamide (CID 154629641) is 2-methyl-6-(pyridin-2-yldisulfanyl)benzamide.
What is the SMILES notation for 2-methyl-6-(pyridin-2-yldisulfanyl)benzamide?
The canonical SMILES for 2-methyl-6-(pyridin-2-yldisulfanyl)benzamide is Cc1cccc(SSc2ccccn2)c1C(N)=O.
What is the InChIKey of 2-methyl-6-(pyridin-2-yldisulfanyl)benzamide?
The InChIKey is DQKJOZRAKOATTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-9-5-4-6-10(12(9)13(14)16)17-18-11-7-2-3-8-15-11/h2-8H,1H3,(H2,14,16).
What are the key properties of 2-methyl-6-(pyridin-2-yldisulfanyl)benzamide?
2-methyl-6-(pyridin-2-yldisulfanyl)benzamide has a molecular weight of 276.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pyridin-2-yldisulfanyl)benzamide is sourced from PubChem (CID 154629641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).