3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide

C17H18Cl2N2O4S — CID 155517129

IUPAC3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide
SMILESCC(C)COc1ncc(-c2ccc(C(=O)NS(C)(=O)=O)cc2Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O4S/c1-10(2)9-25-17-15(19)7-12(8-20-17)13-5-4-11(6-14(13)18)16(22)21-26(3,23)24/h4-8,10H,9H2,1-3H3,(H,21,22)
InChIKeyNNADSLVSDJYYAU-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.78
Rot. Bonds6

About 3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide

3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide (PubChem CID 155517129) has the molecular formula C17H18Cl2N2O4S and a molecular weight of 417.31 g/mol. Its IUPAC name is 3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide
PubChem CID155517129
Molecular FormulaC17H18Cl2N2O4S
Molecular Weight417.31 g/mol
Exact Mass416.04
IUPAC Name3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide
SMILESCC(C)COc1ncc(-c2ccc(C(=O)NS(C)(=O)=O)cc2Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O4S/c1-10(2)9-25-17-15(19)7-12(8-20-17)13-5-4-11(6-14(13)18)16(22)21-26(3,23)24/h4-8,10H,9H2,1-3H3,(H,21,22)
InChIKeyNNADSLVSDJYYAU-UHFFFAOYSA-N
XLogP3.78
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide 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 3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide?
The IUPAC name of 3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide (CID 155517129) is 3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide.
What is the SMILES notation for 3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide?
The canonical SMILES for 3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide is CC(C)COc1ncc(-c2ccc(C(=O)NS(C)(=O)=O)cc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide?
The InChIKey is NNADSLVSDJYYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S/c1-10(2)9-25-17-15(19)7-12(8-20-17)13-5-4-11(6-14(13)18)16(22)21-26(3,23)24/h4-8,10H,9H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide?
3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide has a molecular weight of 417.31 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide is sourced from PubChem (CID 155517129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).