1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide

C22H21FN4O4S — CID 55631329

IUPAC1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H21FN4O4S/c23-16-7-9-18(10-8-16)27-21(28)12-11-20(25-27)22(29)24-17-5-4-6-19(15-17)32(30,31)26-13-2-1-3-14-26/h4-12,15H,1-3,13-14H2,(H,24,29)
InChIKeySHZBZFJUSXCFCJ-UHFFFAOYSA-N
MW456.50 g/mol
LogP2.80
Rot. Bonds5

About 1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide

1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide (PubChem CID 55631329) has the molecular formula C22H21FN4O4S and a molecular weight of 456.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
PubChem CID55631329
Molecular FormulaC22H21FN4O4S
Molecular Weight456.50 g/mol
Exact Mass456.13
IUPAC Name1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H21FN4O4S/c23-16-7-9-18(10-8-16)27-21(28)12-11-20(25-27)22(29)24-17-5-4-6-19(15-17)32(30,31)26-13-2-1-3-14-26/h4-12,15H,1-3,13-14H2,(H,24,29)
InChIKeySHZBZFJUSXCFCJ-UHFFFAOYSA-N
XLogP2.80
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide
CID 55631550
6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179197
6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
CID 27428687
2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252564
2-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759853
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 112805705
4-fluoro-N-[3-methyl-1-oxo-1-(3-piperidin-1-ylsulfonylanilino)butan-2-yl]benzamide
CID 43005167
2-[(4-fluorophenoxy)methyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 24671851
3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30684734
2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 42991910
N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide
CID 17417619
5-cyclopropyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 31810077

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide (CID 55631329) is 1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
The InChIKey is SHZBZFJUSXCFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O4S/c23-16-7-9-18(10-8-16)27-21(28)12-11-20(25-27)22(29)24-17-5-4-6-19(15-17)32(30,31)26-13-2-1-3-14-26/h4-12,15H,1-3,13-14H2,(H,24,29).
What are the key properties of 1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 55631329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).