N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

C19H19N3O4S — CID 53054071

IUPACN-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2OC)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-13-4-7-15(8-5-13)22-27(24,25)18-12-14(6-10-17(18)26-2)16-9-11-19(23)21-20-16/h4-12,22H,3H2,1-2H3,(H,21,23)
InChIKeyNWGCWNPWFYGESX-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.81
Rot. Bonds6

About N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 53054071) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID53054071
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2OC)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-13-4-7-15(8-5-13)22-27(24,25)18-12-14(6-10-17(18)26-2)16-9-11-19(23)21-20-16/h4-12,22H,3H2,1-2H3,(H,21,23)
InChIKeyNWGCWNPWFYGESX-UHFFFAOYSA-N
XLogP2.81
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094876
5-ethyl-2-methoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570769
4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide
CID 976918
N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751739
N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100535370
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 37244496
N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134871
N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 45106866
2-methoxy-5-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720262
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 24538441
N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923062
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
CID 24595720

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 53054071) is N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is CCc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2OC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is NWGCWNPWFYGESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-13-4-7-15(8-5-13)22-27(24,25)18-12-14(6-10-17(18)26-2)16-9-11-19(23)21-20-16/h4-12,22H,3H2,1-2H3,(H,21,23).
What are the key properties of N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 53054071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).