N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide

C13H13N3O5S — CID 46523475

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C13H13N3O5S/c1-2-22(20,21)8-3-5-11(17)10(7-8)14-13(19)9-4-6-12(18)16-15-9/h3-7,17H,2H2,1H3,(H,14,19)(H,16,18)
InChIKeyQUWMJXYJXZGCOE-UHFFFAOYSA-N
MW323.33 g/mol
LogP0.52
Rot. Bonds4

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 46523475) has the molecular formula C13H13N3O5S and a molecular weight of 323.33 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID46523475
Molecular FormulaC13H13N3O5S
Molecular Weight323.33 g/mol
Exact Mass323.06
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C13H13N3O5S/c1-2-22(20,21)8-3-5-11(17)10(7-8)14-13(19)9-4-6-12(18)16-15-9/h3-7,17H,2H2,1H3,(H,14,19)(H,16,18)
InChIKeyQUWMJXYJXZGCOE-UHFFFAOYSA-N
XLogP0.52
TPSA129.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135803302
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705823
N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide
CID 31618688
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide
CID 19475773
4-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19477146
methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128
N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 9415955
4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618431
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide
CID 78794976
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509906
2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide
CID 51206951
3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide
CID 35978682

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 46523475) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(=O)[nH]n2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is QUWMJXYJXZGCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5S/c1-2-22(20,21)8-3-5-11(17)10(7-8)14-13(19)9-4-6-12(18)16-15-9/h3-7,17H,2H2,1H3,(H,14,19)(H,16,18).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 46523475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).