3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide

C12H9Cl2N3OS — CID 103606441

IUPAC3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide
SMILESCSc1ccccc1NC(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C12H9Cl2N3OS/c1-19-9-5-3-2-4-8(9)15-12(18)7-6-10(13)16-17-11(7)14/h2-6H,1H3,(H,15,18)
InChIKeyCNJTVJIJFVTZOP-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.76
Rot. Bonds3

About 3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide

3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide (PubChem CID 103606441) has the molecular formula C12H9Cl2N3OS and a molecular weight of 314.20 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide
PubChem CID103606441
Molecular FormulaC12H9Cl2N3OS
Molecular Weight314.20 g/mol
Exact Mass312.98
IUPAC Name3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide
SMILESCSc1ccccc1NC(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C12H9Cl2N3OS/c1-19-9-5-3-2-4-8(9)15-12(18)7-6-10(13)16-17-11(7)14/h2-6H,1H3,(H,15,18)
InChIKeyCNJTVJIJFVTZOP-UHFFFAOYSA-N
XLogP3.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide
CID 87380086
N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038582
4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 61117159
3,6-dichloro-N-(2,4-dichlorophenyl)pyridazine-4-carboxamide
CID 13456235
2-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 1250224
3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide
CID 13456213
5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide
CID 61117272
4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 113381839
5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
CID 81317409
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117271
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide (CID 103606441) is 3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide is CSc1ccccc1NC(=O)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide?
The InChIKey is CNJTVJIJFVTZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3OS/c1-19-9-5-3-2-4-8(9)15-12(18)7-6-10(13)16-17-11(7)14/h2-6H,1H3,(H,15,18).
What are the key properties of 3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide?
3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide has a molecular weight of 314.20 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 103606441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).