N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C17H19N5O3S — CID 113046870

IUPACN-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCN(c1ccccc1)c1ccc(NS(=O)(=O)c2c(C)noc2C)nn1
InChIInChI=1S/C17H19N5O3S/c1-4-22(14-8-6-5-7-9-14)16-11-10-15(18-19-16)21-26(23,24)17-12(2)20-25-13(17)3/h5-11H,4H2,1-3H3,(H,18,21)
InChIKeyARZGMGJLDRBKLE-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.04
Rot. Bonds6

About N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 113046870) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID113046870
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCN(c1ccccc1)c1ccc(NS(=O)(=O)c2c(C)noc2C)nn1
InChIInChI=1S/C17H19N5O3S/c1-4-22(14-8-6-5-7-9-14)16-11-10-15(18-19-16)21-26(23,24)17-12(2)20-25-13(17)3/h5-11H,4H2,1-3H3,(H,18,21)
InChIKeyARZGMGJLDRBKLE-UHFFFAOYSA-N
XLogP3.04
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046847
N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986593
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113041737
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113051444
N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113038928
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 17490159
N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113046832
N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041950
N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113012046
3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide
CID 113050740
N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60640605
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057272

Frequently Asked Questions

What is the IUPAC name of N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 113046870) is N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCN(c1ccccc1)c1ccc(NS(=O)(=O)c2c(C)noc2C)nn1.
What is the InChIKey of N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is ARZGMGJLDRBKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-4-22(14-8-6-5-7-9-14)16-11-10-15(18-19-16)21-26(23,24)17-12(2)20-25-13(17)3/h5-11H,4H2,1-3H3,(H,18,21).
What are the key properties of N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 373.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113046870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).