N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propane-1-sulfonamide

C13H17N3O4S — CID 16905568

IUPACN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C13H17N3O4S/c1-2-10-21(18,19)14-7-8-16-13(17)6-5-11(15-16)12-4-3-9-20-12/h3-6,9,14H,2,7-8,10H2,1H3
InChIKeyJYBGFMWOYXELBC-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.83
Rot. Bonds7

About N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propane-1-sulfonamide

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propane-1-sulfonamide (PubChem CID 16905568) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propane-1-sulfonamide
PubChem CID16905568
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C13H17N3O4S/c1-2-10-21(18,19)14-7-8-16-13(17)6-5-11(15-16)12-4-3-9-20-12/h3-6,9,14H,2,7-8,10H2,1H3
InChIKeyJYBGFMWOYXELBC-UHFFFAOYSA-N
XLogP0.83
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2,2-trifluoro-N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)acetamide
CID 16905497
N,N-diethyl-5-(2-furyl)-2-methyl-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 22515311
4-fluoro-N-(3-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)propyl)benzenesulfonamide
CID 25881981
2,4-difluoro-N-(3-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)propyl)benzenesulfonamide
CID 25881991
N-{3-[3-(furan-2-yl)-6-oxo-1,6-dihydropyridazin-1-yl]propyl}-4-(trifluoromethoxy)benzene-1-sulfonamide
CID 25882000
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 46961343
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 46961350
N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-5-methylthiophene-2-sulfonamide
CID 16905631
2-fluoro-N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)benzenesulfonamide
CID 16905589
5-(2-furyl)-N-isopropyl-2-methyl-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 6625780
2-ethyl-N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)butanamide
CID 16905522
N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-3-(phenylthio)propanamide
CID 16905559

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propane-1-sulfonamide (CID 16905568) is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCn1nc(-c2ccco2)ccc1=O.
What is the InChIKey of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propane-1-sulfonamide?
The InChIKey is JYBGFMWOYXELBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-2-10-21(18,19)14-7-8-16-13(17)6-5-11(15-16)12-4-3-9-20-12/h3-6,9,14H,2,7-8,10H2,1H3.
What are the key properties of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propane-1-sulfonamide?
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propane-1-sulfonamide has a molecular weight of 311.36 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 16905568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).