3-chloro-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-methylsulfonylbenzamide

C20H18ClN3O3S — CID 71766378

IUPAC3-chloro-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-methylsulfonylbenzamide
SMILESCc1ccccc1-c1cnncc1N(C)C(=O)c1cc(Cl)cc(S(C)(=O)=O)c1
InChIInChI=1S/C20H18ClN3O3S/c1-13-6-4-5-7-17(13)18-11-22-23-12-19(18)24(2)20(25)14-8-15(21)10-16(9-14)28(3,26)27/h4-12H,1-3H3
InChIKeyHHZIZCWFKBGDHO-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.79
Rot. Bonds4

About 3-chloro-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-methylsulfonylbenzamide

3-chloro-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-methylsulfonylbenzamide (PubChem CID 71766378) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-methylsulfonylbenzamide
PubChem CID71766378
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name3-chloro-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-methylsulfonylbenzamide
SMILESCc1ccccc1-c1cnncc1N(C)C(=O)c1cc(Cl)cc(S(C)(=O)=O)c1
InChIInChI=1S/C20H18ClN3O3S/c1-13-6-4-5-7-17(13)18-11-22-23-12-19(18)24(2)20(25)14-8-15(21)10-16(9-14)28(3,26)27/h4-12H,1-3H3
InChIKeyHHZIZCWFKBGDHO-UHFFFAOYSA-N
XLogP3.79
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-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-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-methylsulfonylbenzamide?
The IUPAC name of 3-chloro-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-methylsulfonylbenzamide (CID 71766378) is 3-chloro-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-methylsulfonylbenzamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-methylsulfonylbenzamide?
The canonical SMILES for 3-chloro-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-methylsulfonylbenzamide is Cc1ccccc1-c1cnncc1N(C)C(=O)c1cc(Cl)cc(S(C)(=O)=O)c1.
What is the InChIKey of 3-chloro-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-methylsulfonylbenzamide?
The InChIKey is HHZIZCWFKBGDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-13-6-4-5-7-17(13)18-11-22-23-12-19(18)24(2)20(25)14-8-15(21)10-16(9-14)28(3,26)27/h4-12H,1-3H3.
What are the key properties of 3-chloro-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-methylsulfonylbenzamide?
3-chloro-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-methylsulfonylbenzamide has a molecular weight of 415.90 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[5-(2-methylphenyl)pyridazin-4-yl]-5-methylsulfonylbenzamide is sourced from PubChem (CID 71766378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).