N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C15H20N4O4S — CID 55947174

IUPACN-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1C
InChIInChI=1S/C15H20N4O4S/c1-4-24(22,23)18-12-6-5-11(9-10(12)2)16-15(21)13-7-8-14(20)19(3)17-13/h5-6,9,18H,4,7-8H2,1-3H3,(H,16,21)
InChIKeyNWIZYNPMAYVVET-UHFFFAOYSA-N
MW352.42 g/mol
LogP1.30
Rot. Bonds5

About N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55947174) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55947174
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1C
InChIInChI=1S/C15H20N4O4S/c1-4-24(22,23)18-12-6-5-11(9-10(12)2)16-15(21)13-7-8-14(20)19(3)17-13/h5-6,9,18H,4,7-8H2,1-3H3,(H,16,21)
InChIKeyNWIZYNPMAYVVET-UHFFFAOYSA-N
XLogP1.30
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55947174) is N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1C.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is NWIZYNPMAYVVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-4-24(22,23)18-12-6-5-11(9-10(12)2)16-15(21)13-7-8-14(20)19(3)17-13/h5-6,9,18H,4,7-8H2,1-3H3,(H,16,21).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55947174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).