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

C15H14N4O3S2 — CID 42142681

IUPACN-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2cccnc2)nn1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C15H14N4O3S2/c20-14-6-5-13(12-3-1-7-16-11-12)18-19(14)9-8-17-24(21,22)15-4-2-10-23-15/h1-7,10-11,17H,8-9H2
InChIKeyAURNTSIKAXNQJI-UHFFFAOYSA-N
MW362.44 g/mol
LogP1.35
Rot. Bonds6

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

N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 42142681) has the molecular formula C15H14N4O3S2 and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID42142681
Molecular FormulaC15H14N4O3S2
Molecular Weight362.44 g/mol
Exact Mass362.05
IUPAC NameN-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2cccnc2)nn1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C15H14N4O3S2/c20-14-6-5-13(12-3-1-7-16-11-12)18-19(14)9-8-17-24(21,22)15-4-2-10-23-15/h1-7,10-11,17H,8-9H2
InChIKeyAURNTSIKAXNQJI-UHFFFAOYSA-N
XLogP1.35
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 42142681) is N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide is O=c1ccc(-c2cccnc2)nn1CCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is AURNTSIKAXNQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S2/c20-14-6-5-13(12-3-1-7-16-11-12)18-19(14)9-8-17-24(21,22)15-4-2-10-23-15/h1-7,10-11,17H,8-9H2.
What are the key properties of N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 362.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42142681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).