N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide

C18H19N3O6S — CID 20927097

IUPACN-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)c1
InChIInChI=1S/C18H19N3O6S/c1-3-25-12-5-7-15(26-4-2)14(11-12)21-28(23,24)18-10-8-16(27-18)13-6-9-17(22)20-19-13/h5-11,21H,3-4H2,1-2H3,(H,20,22)
InChIKeyDWORXJPMUPHIPH-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.63
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide

N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide (PubChem CID 20927097) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
PubChem CID20927097
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC NameN-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)c1
InChIInChI=1S/C18H19N3O6S/c1-3-25-12-5-7-15(26-4-2)14(11-12)21-28(23,24)18-10-8-16(27-18)13-6-9-17(22)20-19-13/h5-11,21H,3-4H2,1-2H3,(H,20,22)
InChIKeyDWORXJPMUPHIPH-UHFFFAOYSA-N
XLogP2.63
TPSA123.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
CID 20927054
N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
CID 20927031
N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide
CID 3792893
N-(2-ethoxyphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175530
5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide
CID 3868034
2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid
CID 61454221
2-bromo-N-(2,5-diethoxyphenyl)-4-methylbenzenesulfonamide
CID 35530767
N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807478
N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53104512
N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53112129
N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946203
N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267974

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide (CID 20927097) is N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide is CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide?
The InChIKey is DWORXJPMUPHIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-3-25-12-5-7-15(26-4-2)14(11-12)21-28(23,24)18-10-8-16(27-18)13-6-9-17(22)20-19-13/h5-11,21H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide?
N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide has a molecular weight of 405.43 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide is sourced from PubChem (CID 20927097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).