2-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide

C16H16Cl2N2O3S — CID 45269894

IUPAC2-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide
SMILESCC(C(=O)NS(C)(=O)=O)c1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c1-10(16(21)20-24(2,22)23)11-6-3-4-9-14(11)19-15-12(17)7-5-8-13(15)18/h3-10,19H,1-2H3,(H,20,21)
InChIKeyZNEWAVGEUAWOBQ-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.92
Rot. Bonds5

About 2-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide

2-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide (PubChem CID 45269894) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 2-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name2-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide
PubChem CID45269894
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name2-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide
SMILESCC(C(=O)NS(C)(=O)=O)c1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c1-10(16(21)20-24(2,22)23)11-6-3-4-9-14(11)19-15-12(17)7-5-8-13(15)18/h3-10,19H,1-2H3,(H,20,21)
InChIKeyZNEWAVGEUAWOBQ-UHFFFAOYSA-N
XLogP3.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide 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-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide?
The IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide (CID 45269894) is 2-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide.
What is the SMILES notation for 2-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide?
The canonical SMILES for 2-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide is CC(C(=O)NS(C)(=O)=O)c1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide?
The InChIKey is ZNEWAVGEUAWOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-10(16(21)20-24(2,22)23)11-6-3-4-9-14(11)19-15-12(17)7-5-8-13(15)18/h3-10,19H,1-2H3,(H,20,21).
What are the key properties of 2-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide?
2-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide has a molecular weight of 387.29 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloroanilino)phenyl]-N-methylsulfonylpropanamide is sourced from PubChem (CID 45269894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).