N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide

C16H16N4O3S2 — CID 42144180

IUPACN-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccncc2)nn1CCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C16H16N4O3S2/c21-15-5-4-14(13-6-9-17-10-7-13)19-20(15)11-2-8-18-25(22,23)16-3-1-12-24-16/h1,3-7,9-10,12,18H,2,8,11H2
InChIKeyNVTHUSONIHMLLC-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.74
Rot. Bonds7

About N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide

N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 42144180) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID42144180
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC NameN-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccncc2)nn1CCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C16H16N4O3S2/c21-15-5-4-14(13-6-9-17-10-7-13)19-20(15)11-2-8-18-25(22,23)16-3-1-12-24-16/h1,3-7,9-10,12,18H,2,8,11H2
InChIKeyNVTHUSONIHMLLC-UHFFFAOYSA-N
XLogP1.74
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 72718696
N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 42226747
4-iodo-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]benzenesulfonamide
CID 42143740
N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide
CID 42138860
3,4-dimethoxy-N-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]benzenesulfonamide
CID 42138790
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207435
4-fluoro-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]benzenesulfonamide
CID 42138848
N-pentylthiophene-2-sulfonamide
CID 5150701
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042
2-methoxy-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 121034026
N-(4-cyanobutyl)thiophene-2-sulfonamide
CID 63297087
3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905781

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide (CID 42144180) is N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide is O=c1ccc(-c2ccncc2)nn1CCCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is NVTHUSONIHMLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c21-15-5-4-14(13-6-9-17-10-7-13)19-20(15)11-2-8-18-25(22,23)16-3-1-12-24-16/h1,3-7,9-10,12,18H,2,8,11H2.
What are the key properties of N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide?
N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 376.46 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42144180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).