N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C16H19N3O4S — CID 110793132

IUPACN-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)=NN1
InChIInChI=1S/C16H19N3O4S/c20-15-10-9-14(18-19-15)16(21)17-11-5-7-13(8-6-11)24(22,23)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,21)(H,19,20)
InChIKeyPPAPVOKWFFZFQI-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.61
Rot. Bonds4

About N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110793132) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110793132
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)=NN1
InChIInChI=1S/C16H19N3O4S/c20-15-10-9-14(18-19-15)16(21)17-11-5-7-13(8-6-11)24(22,23)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,21)(H,19,20)
InChIKeyPPAPVOKWFFZFQI-UHFFFAOYSA-N
XLogP1.61
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-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 N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110793132) is N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)=NN1.
What is the InChIKey of N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is PPAPVOKWFFZFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c20-15-10-9-14(18-19-15)16(21)17-11-5-7-13(8-6-11)24(22,23)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,21)(H,19,20).
What are the key properties of N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110793132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).