6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide

C15H14F2N4O3S — CID 109122922

IUPAC6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C15H14F2N4O3S/c16-11-2-1-9(7-12(11)17)18-14-4-3-13(20-21-14)15(22)19-10-5-6-25(23,24)8-10/h1-4,7,10H,5-6,8H2,(H,18,21)(H,19,22)
InChIKeyOWHXPAGMTZCUIG-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.42
Rot. Bonds4

About 6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide

6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide (PubChem CID 109122922) has the molecular formula C15H14F2N4O3S and a molecular weight of 368.37 g/mol. Its IUPAC name is 6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
PubChem CID109122922
Molecular FormulaC15H14F2N4O3S
Molecular Weight368.37 g/mol
Exact Mass368.08
IUPAC Name6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C15H14F2N4O3S/c16-11-2-1-9(7-12(11)17)18-14-4-3-13(20-21-14)15(22)19-10-5-6-25(23,24)8-10/h1-4,7,10H,5-6,8H2,(H,18,21)(H,19,22)
InChIKeyOWHXPAGMTZCUIG-UHFFFAOYSA-N
XLogP1.42
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113080
6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 109122888
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193031
6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133381848
N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122798
N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113749
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109214858
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide
CID 109112372
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide
CID 113028644
6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111343

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide (CID 109122922) is 6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1ccc(Nc2ccc(F)c(F)c2)nn1.
What is the InChIKey of 6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
The InChIKey is OWHXPAGMTZCUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O3S/c16-11-2-1-9(7-12(11)17)18-14-4-3-13(20-21-14)15(22)19-10-5-6-25(23,24)8-10/h1-4,7,10H,5-6,8H2,(H,18,21)(H,19,22).
What are the key properties of 6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109122922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).