2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide

C15H16N2O3S2 — CID 154748748

IUPAC2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(SC)cn1
InChIInChI=1S/C15H16N2O3S2/c1-3-22(19,20)13-7-5-4-6-12(13)15(18)17-14-9-8-11(21-2)10-16-14/h4-10H,3H2,1-2H3,(H,16,17,18)
InChIKeyILZSHAUAZOUYAN-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.85
Rot. Bonds5

About 2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide

2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide (PubChem CID 154748748) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide
PubChem CID154748748
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(SC)cn1
InChIInChI=1S/C15H16N2O3S2/c1-3-22(19,20)13-7-5-4-6-12(13)15(18)17-14-9-8-11(21-2)10-16-14/h4-10H,3H2,1-2H3,(H,16,17,18)
InChIKeyILZSHAUAZOUYAN-UHFFFAOYSA-N
XLogP2.85
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide?
The IUPAC name of 2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide (CID 154748748) is 2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(SC)cn1.
What is the InChIKey of 2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide?
The InChIKey is ILZSHAUAZOUYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-3-22(19,20)13-7-5-4-6-12(13)15(18)17-14-9-8-11(21-2)10-16-14/h4-10H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide?
2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide is sourced from PubChem (CID 154748748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).