1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)pyridazine-3-carboxamide

C18H16N4O4S — CID 7693181

IUPAC1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)pyridazine-3-carboxamide
SMILESCc1cccc(-n2ccc(=O)c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)c1
InChIInChI=1S/C18H16N4O4S/c1-12-3-2-4-14(11-12)22-10-9-16(23)17(21-22)18(24)20-13-5-7-15(8-6-13)27(19,25)26/h2-11H,1H3,(H,20,24)(H2,19,25,26)
InChIKeyFMBQVYHUYITHQL-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.44
Rot. Bonds4

About 1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)pyridazine-3-carboxamide

1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)pyridazine-3-carboxamide (PubChem CID 7693181) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)pyridazine-3-carboxamide
PubChem CID7693181
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC Name1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)pyridazine-3-carboxamide
SMILESCc1cccc(-n2ccc(=O)c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)c1
InChIInChI=1S/C18H16N4O4S/c1-12-3-2-4-14(11-12)22-10-9-16(23)17(21-22)18(24)20-13-5-7-15(8-6-13)27(19,25)26/h2-11H,1H3,(H,20,24)(H2,19,25,26)
InChIKeyFMBQVYHUYITHQL-UHFFFAOYSA-N
XLogP1.44
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)pyridazine-3-carboxamide (CID 7693181) is 1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)pyridazine-3-carboxamide is Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)c1.
What is the InChIKey of 1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)pyridazine-3-carboxamide?
The InChIKey is FMBQVYHUYITHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c1-12-3-2-4-14(11-12)22-10-9-16(23)17(21-22)18(24)20-13-5-7-15(8-6-13)27(19,25)26/h2-11H,1H3,(H,20,24)(H2,19,25,26).
What are the key properties of 1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)pyridazine-3-carboxamide?
1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)pyridazine-3-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 7693181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).