5-ethyl-N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-sulfonamide

C13H17N3O3S2 — CID 30860734

IUPAC5-ethyl-N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCn2ncccc2=O)s1
InChIInChI=1S/C13H17N3O3S2/c1-2-11-6-7-13(20-11)21(18,19)15-9-4-10-16-12(17)5-3-8-14-16/h3,5-8,15H,2,4,9-10H2,1H3
InChIKeyOMHVHEGZVDZGKU-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.24
Rot. Bonds7

About 5-ethyl-N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-sulfonamide

5-ethyl-N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 30860734) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-ethyl-N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID30860734
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Name5-ethyl-N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCn2ncccc2=O)s1
InChIInChI=1S/C13H17N3O3S2/c1-2-11-6-7-13(20-11)21(18,19)15-9-4-10-16-12(17)5-3-8-14-16/h3,5-8,15H,2,4,9-10H2,1H3
InChIKeyOMHVHEGZVDZGKU-UHFFFAOYSA-N
XLogP1.24
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-{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
N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923044
N-butyl-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923054
2-[3-(5-methyl-2-thienylsulfonylamino)propyl]-6-phenyl-3(2H)-pyridazinone
CID 25881873
N-{3-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propyl}methanesulfonamide
CID 25882011
5-ethyl-N-(2-(6-oxopyridazin-1(6H)-yl)ethyl)thiophene-2-sulfonamide
CID 42226748
5-methyl-N-(2-(6-oxopyridazin-1(6H)-yl)ethyl)thiophene-2-sulfonamide
CID 42226752
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)methanesulfonamide
CID 16905750
5-ethyl-N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)thiophene-2-sulfonamide
CID 16905800

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-sulfonamide (CID 30860734) is 5-ethyl-N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCCn2ncccc2=O)s1.
What is the InChIKey of 5-ethyl-N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is OMHVHEGZVDZGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-2-11-6-7-13(20-11)21(18,19)15-9-4-10-16-12(17)5-3-8-14-16/h3,5-8,15H,2,4,9-10H2,1H3.
What are the key properties of 5-ethyl-N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-sulfonamide?
5-ethyl-N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 327.43 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 30860734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).