3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide

C12H8ClF2N3O3S — CID 10066296

IUPAC3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide
SMILESCS(=O)(=O)c1c(F)cc(-c2cc(C(N)=O)c(Cl)nn2)cc1F
InChIInChI=1S/C12H8ClF2N3O3S/c1-22(20,21)10-7(14)2-5(3-8(10)15)9-4-6(12(16)19)11(13)18-17-9/h2-4H,1H3,(H2,16,19)
InChIKeyXMRJIMYTGHJRAT-UHFFFAOYSA-N
MW347.73 g/mol
LogP1.58
Rot. Bonds3

About 3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide

3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide (PubChem CID 10066296) has the molecular formula C12H8ClF2N3O3S and a molecular weight of 347.73 g/mol. Its IUPAC name is 3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide
PubChem CID10066296
Molecular FormulaC12H8ClF2N3O3S
Molecular Weight347.73 g/mol
Exact Mass346.99
IUPAC Name3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide
SMILESCS(=O)(=O)c1c(F)cc(-c2cc(C(N)=O)c(Cl)nn2)cc1F
InChIInChI=1S/C12H8ClF2N3O3S/c1-22(20,21)10-7(14)2-5(3-8(10)15)9-4-6(12(16)19)11(13)18-17-9/h2-4H,1H3,(H2,16,19)
InChIKeyXMRJIMYTGHJRAT-UHFFFAOYSA-N
XLogP1.58
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide?
The IUPAC name of 3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide (CID 10066296) is 3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide?
The canonical SMILES for 3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide is CS(=O)(=O)c1c(F)cc(-c2cc(C(N)=O)c(Cl)nn2)cc1F.
What is the InChIKey of 3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide?
The InChIKey is XMRJIMYTGHJRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N3O3S/c1-22(20,21)10-7(14)2-5(3-8(10)15)9-4-6(12(16)19)11(13)18-17-9/h2-4H,1H3,(H2,16,19).
What are the key properties of 3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide?
3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide has a molecular weight of 347.73 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 10066296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).