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

C16H17N3O3S3 — CID 16905800

IUPAC5-ethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)s1
InChIInChI=1S/C16H17N3O3S3/c1-2-12-5-8-16(24-12)25(21,22)17-9-10-19-15(20)7-6-13(18-19)14-4-3-11-23-14/h3-8,11,17H,2,9-10H2,1H3
InChIKeyBNFOCHOHLHTPPQ-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.57
Rot. Bonds7

About 5-ethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide

5-ethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 16905800) has the molecular formula C16H17N3O3S3 and a molecular weight of 395.53 g/mol. Its IUPAC name is 5-ethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID16905800
Molecular FormulaC16H17N3O3S3
Molecular Weight395.53 g/mol
Exact Mass395.04
IUPAC Name5-ethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)s1
InChIInChI=1S/C16H17N3O3S3/c1-2-12-5-8-16(24-12)25(21,22)17-9-10-19-15(20)7-6-13(18-19)14-4-3-11-23-14/h3-8,11,17H,2,9-10H2,1H3
InChIKeyBNFOCHOHLHTPPQ-UHFFFAOYSA-N
XLogP2.57
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.57
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
5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide
CID 20970046
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
2-{2-[(Dimethylsulfamoyl)amino]ethyl}-6-(thiophen-2-yl)-2,3-dihydropyridazin-3-one
CID 16905753
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)thiophene-2-sulfonamide
CID 16905799
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
N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923044

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 16905800) is 5-ethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)s1.
What is the InChIKey of 5-ethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is BNFOCHOHLHTPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S3/c1-2-12-5-8-16(24-12)25(21,22)17-9-10-19-15(20)7-6-13(18-19)14-4-3-11-23-14/h3-8,11,17H,2,9-10H2,1H3.
What are the key properties of 5-ethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
5-ethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 395.53 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16905800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).