2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide

C17H19N3O4S — CID 53073383

IUPAC2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)NC1CCCC1
InChIInChI=1S/C17H19N3O4S/c21-15(18-13-6-4-5-7-13)12-20-17(22)11-10-16(19-20)25(23,24)14-8-2-1-3-9-14/h1-3,8-11,13H,4-7,12H2,(H,18,21)
InChIKeyHLFOSNVRZVTRET-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.13
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide

2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide (PubChem CID 53073383) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
PubChem CID53073383
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)NC1CCCC1
InChIInChI=1S/C17H19N3O4S/c21-15(18-13-6-4-5-7-13)12-20-17(22)11-10-16(19-20)25(23,24)14-8-2-1-3-9-14/h1-3,8-11,13H,4-7,12H2,(H,18,21)
InChIKeyHLFOSNVRZVTRET-UHFFFAOYSA-N
XLogP1.13
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-((3-fluorophenyl)sulfonyl)-6-oxopyridazin-1(6H)-yl)-N-isopentylacetamide
CID 52905747
N-cyclohexyl-2-(3-((3-fluorophenyl)sulfonyl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 49668562
N-cyclopentyl-2-[3-(3-fluorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide
CID 53073610
2-[3-[(3-fluorophenyl)sulfonyl]-6-oxopyridazin-1(6H)-yl]acetamide
CID 53073612
N~1~-[2-(1-cyclohexenyl)ethyl]-2-[3-[(3-fluorophenyl)sulfonyl]-6-oxo-1(6H)-pyridazinyl]acetamide
CID 84222778
N-(Butan-2-YL)-2-[3-(3-fluorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-YL]acetamide
CID 86810342
N-[(2R)-butan-2-yl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 97545394
N-[(2S)-butan-2-yl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 97545395
2-[6-oxo-3-(phenylsulfonyl)pyridazin-1(6H)-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 49668519
2-(3-((4-bromophenyl)sulfonyl)-6-oxopyridazin-1(6H)-yl)-N-isopropylacetamide
CID 49668526
N-{[(R)-perhydro-2-furyl]methyl}[6-oxo-3-(phenylsulfonyl)-1,6-dihydro-1-pyridazinyl]acetamide
CID 52319274
2-[3-(4-Bromobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-cyclopentylacetamide
CID 53006771

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide (CID 53073383) is 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide is O=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)NC1CCCC1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
The InChIKey is HLFOSNVRZVTRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-15(18-13-6-4-5-7-13)12-20-17(22)11-10-16(19-20)25(23,24)14-8-2-1-3-9-14/h1-3,8-11,13H,4-7,12H2,(H,18,21).
What are the key properties of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide has a molecular weight of 361.42 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 53073383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).