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

C17H17N3O3S2 — CID 16905823

IUPACN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-phenylmethanesulfonamide
SMILESO=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H17N3O3S2/c21-17-9-8-15(16-7-4-12-24-16)19-20(17)11-10-18-25(22,23)13-14-5-2-1-3-6-14/h1-9,12,18H,10-11,13H2
InChIKeyOCGDGIJAFHBJNU-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.09
Rot. Bonds7

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

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 16905823) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-phenylmethanesulfonamide
PubChem CID16905823
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-phenylmethanesulfonamide
SMILESO=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H17N3O3S2/c21-17-9-8-15(16-7-4-12-24-16)19-20(17)11-10-18-25(22,23)13-14-5-2-1-3-6-14/h1-9,12,18H,10-11,13H2
InChIKeyOCGDGIJAFHBJNU-UHFFFAOYSA-N
XLogP2.09
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-phenylmethanesulfonamide (CID 16905823) is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-phenylmethanesulfonamide is O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is OCGDGIJAFHBJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c21-17-9-8-15(16-7-4-12-24-16)19-20(17)11-10-18-25(22,23)13-14-5-2-1-3-6-14/h1-9,12,18H,10-11,13H2.
What are the key properties of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-phenylmethanesulfonamide?
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 375.48 g/mol, XLogP of 2.09, 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]-1-phenylmethanesulfonamide is sourced from PubChem (CID 16905823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).