1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide

C24H19N3O5S — CID 123285887

IUPAC1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1nn(-c2ccccc2S(=O)(=O)c2ccccc2)cc(O)c1=O
InChIInChI=1S/C24H19N3O5S/c28-20-16-27(26-22(23(20)29)24(30)25-15-17-9-3-1-4-10-17)19-13-7-8-14-21(19)33(31,32)18-11-5-2-6-12-18/h1-14,16,28H,15H2,(H,25,30)
InChIKeySTVNSGSWMKQEBL-UHFFFAOYSA-N
MW461.50 g/mol
LogP2.70
Rot. Bonds6

About 1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide

1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide (PubChem CID 123285887) has the molecular formula C24H19N3O5S and a molecular weight of 461.50 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide
PubChem CID123285887
Molecular FormulaC24H19N3O5S
Molecular Weight461.50 g/mol
Exact Mass461.10
IUPAC Name1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1nn(-c2ccccc2S(=O)(=O)c2ccccc2)cc(O)c1=O
InChIInChI=1S/C24H19N3O5S/c28-20-16-27(26-22(23(20)29)24(30)25-15-17-9-3-1-4-10-17)19-13-7-8-14-21(19)33(31,32)18-11-5-2-6-12-18/h1-14,16,28H,15H2,(H,25,30)
InChIKeySTVNSGSWMKQEBL-UHFFFAOYSA-N
XLogP2.70
TPSA118.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide (CID 123285887) is 1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide is O=C(NCc1ccccc1)c1nn(-c2ccccc2S(=O)(=O)c2ccccc2)cc(O)c1=O.
What is the InChIKey of 1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide?
The InChIKey is STVNSGSWMKQEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5S/c28-20-16-27(26-22(23(20)29)24(30)25-15-17-9-3-1-4-10-17)19-13-7-8-14-21(19)33(31,32)18-11-5-2-6-12-18/h1-14,16,28H,15H2,(H,25,30).
What are the key properties of 1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide?
1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 123285887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).