N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide

C13H17N3O3S2 — CID 16905752

IUPACN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C13H17N3O3S2/c1-2-10-21(18,19)14-7-8-16-13(17)6-5-11(15-16)12-4-3-9-20-12/h3-6,9,14H,2,7-8,10H2,1H3
InChIKeyMLRQUKAGSRJEFP-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.30
Rot. Bonds7

About N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide (PubChem CID 16905752) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide
PubChem CID16905752
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C13H17N3O3S2/c1-2-10-21(18,19)14-7-8-16-13(17)6-5-11(15-16)12-4-3-9-20-12/h3-6,9,14H,2,7-8,10H2,1H3
InChIKeyMLRQUKAGSRJEFP-UHFFFAOYSA-N
XLogP1.30
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide 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-(4-methoxyphenoxy)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]ethanesulfonamide
CID 90518508
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905781
3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905803
2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905802
4-methyl-3,5-dinitro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905791
2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905728
2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 16905716
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide
CID 16905679
2-(4-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide
CID 16675150
2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one
CID 7659593
methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
CID 51043067

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide (CID 16905752) is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide?
The InChIKey is MLRQUKAGSRJEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-2-10-21(18,19)14-7-8-16-13(17)6-5-11(15-16)12-4-3-9-20-12/h3-6,9,14H,2,7-8,10H2,1H3.
What are the key properties of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide?
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide has a molecular weight of 327.43 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 16905752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).