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

C14H13N3O3S3 — CID 16905799

IUPACN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C14H13N3O3S3/c18-13-6-5-11(12-3-1-9-21-12)16-17(13)8-7-15-23(19,20)14-4-2-10-22-14/h1-6,9-10,15H,7-8H2
InChIKeyREGZZVVDHQNQPK-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.01
Rot. Bonds6

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

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 16905799) has the molecular formula C14H13N3O3S3 and a molecular weight of 367.48 g/mol. Its IUPAC name is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID16905799
Molecular FormulaC14H13N3O3S3
Molecular Weight367.48 g/mol
Exact Mass367.01
IUPAC NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C14H13N3O3S3/c18-13-6-5-11(12-3-1-9-21-12)16-17(13)8-7-15-23(19,20)14-4-2-10-22-14/h1-6,9-10,15H,7-8H2
InChIKeyREGZZVVDHQNQPK-UHFFFAOYSA-N
XLogP2.01
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-Butyl-5-(6-oxo-1,6-dihydropyridazin-3-YL)-N-[(thiophen-2-YL)methyl]thiophene-2-sulfonamide
CID 20939863
2,2,2-trifluoro-N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)acetamide
CID 16905681
2-fluoro-N-{3-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propyl}benzene-1-sulfonamide
CID 25882023
4-fluoro-N-{3-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propyl}benzene-1-sulfonamide
CID 25882024
2,5-difluoro-N-{3-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propyl}benzene-1-sulfonamide
CID 25882025
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)acetamide
CID 51044552
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)-2-(thiophen-2-yl)acetamide
CID 16905691
2-{2-[(Dimethylsulfamoyl)amino]ethyl}-6-(thiophen-2-yl)-2,3-dihydropyridazin-3-one
CID 16905753
5-chloro-N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)thiophene-2-sulfonamide
CID 16905801
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)-1-phenylmethanesulfonamide
CID 16905823
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)-2-phenylethanesulfonamide
CID 16905827
5-(6-Oxo-1,6-dihydropyridazin-3-YL)-N-[2-(pyrrolidin-1-YL)ethyl]thiophene-2-sulfonamide
CID 20939807

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 16905799) is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide is O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is REGZZVVDHQNQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S3/c18-13-6-5-11(12-3-1-9-21-12)16-17(13)8-7-15-23(19,20)14-4-2-10-22-14/h1-6,9-10,15H,7-8H2.
What are the key properties of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 367.48 g/mol, XLogP of 2.01, 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-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16905799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).