N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide

C18H19N3O6S — CID 20927006

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)cc1OC
InChIInChI=1S/C18H19N3O6S/c1-25-15-5-3-12(11-16(15)26-2)9-10-19-28(23,24)18-8-6-14(27-18)13-4-7-17(22)21-20-13/h3-8,11,19H,9-10H2,1-2H3,(H,21,22)
InChIKeyXNMWJFFDYDMLCC-UHFFFAOYSA-N
MW405.43 g/mol
LogP1.57
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide (PubChem CID 20927006) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
PubChem CID20927006
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)cc1OC
InChIInChI=1S/C18H19N3O6S/c1-25-15-5-3-12(11-16(15)26-2)9-10-19-28(23,24)18-8-6-14(27-18)13-4-7-17(22)21-20-13/h3-8,11,19H,9-10H2,1-2H3,(H,21,22)
InChIKeyXNMWJFFDYDMLCC-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,3,4-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 2729546
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 94143746
4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 25467365
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1148827
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-3H-1,3-benzothiazole-6-sulfonamide
CID 15998071
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 91758594
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 55353351
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide
CID 84575585
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 24792691
5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 25179868
methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate
CID 31701712

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide (CID 20927006) is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide is COc1ccc(CCNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide?
The InChIKey is XNMWJFFDYDMLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-25-15-5-3-12(11-16(15)26-2)9-10-19-28(23,24)18-8-6-14(27-18)13-4-7-17(22)21-20-13/h3-8,11,19H,9-10H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide has a molecular weight of 405.43 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide is sourced from PubChem (CID 20927006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).