5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide

C22H21N5O5S — CID 53080742

IUPAC5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1cccc(C)n1
InChIInChI=1S/C22H21N5O5S/c1-13-6-5-7-20(23-13)26-33(29,30)19-12-16(8-10-18(19)31-4)17-9-11-21(28)27(24-17)22-14(2)25-32-15(22)3/h5-12H,1-4H3,(H,23,26)
InChIKeyDUSVNDBZMZDDKX-UHFFFAOYSA-N
MW467.51 g/mol
LogP3.02
Rot. Bonds6

About 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide

5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 53080742) has the molecular formula C22H21N5O5S and a molecular weight of 467.51 g/mol. Its IUPAC name is 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID53080742
Molecular FormulaC22H21N5O5S
Molecular Weight467.51 g/mol
Exact Mass467.13
IUPAC Name5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1cccc(C)n1
InChIInChI=1S/C22H21N5O5S/c1-13-6-5-7-20(23-13)26-33(29,30)19-12-16(8-10-18(19)31-4)17-9-11-21(28)27(24-17)22-14(2)25-32-15(22)3/h5-12H,1-4H3,(H,23,26)
InChIKeyDUSVNDBZMZDDKX-UHFFFAOYSA-N
XLogP3.02
TPSA129.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-Chloropyridin-2-YL)-5-[1-(3,5-dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-2-methoxybenzene-1-sulfonamide
CID 53080739
N-(3,4-Difluorophenyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-2-methoxybenzene-1-sulfonamide
CID 53080801
5-[1-(3,5-Dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-2-methoxy-N-[(pyridin-2-YL)methyl]benzene-1-sulfonamide
CID 53198946
2-(3,5-Dimethyl-1,2-oxazol-4-YL)-6-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-2,3-dihydropyridazin-3-one
CID 83275427
N-(2,5-Difluorophenyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-2-methoxybenzene-1-sulfonamide
CID 53080737
N-(2,4-Difluorophenyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-2-methoxybenzene-1-sulfonamide
CID 53080753
5-[1-(3,5-Dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-N-(2-fluorophenyl)-2-methoxybenzene-1-sulfonamide
CID 53080760
5-[1-(3,5-Dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-N-(3-fluorophenyl)-2-methoxybenzene-1-sulfonamide
CID 53080761
5-[1-(3,5-Dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-N-(4-fluorophenyl)-2-methoxybenzene-1-sulfonamide
CID 53080762
5-[1-(3,5-Dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-N-[(4-fluorophenyl)methyl]-2-methoxybenzene-1-sulfonamide
CID 53080792
5-[1-(3,5-Dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-N-(3-fluoro-4-methylphenyl)-2-methoxybenzene-1-sulfonamide
CID 53080799
5-[1-(3,5-Dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-N-(4-fluoro-2-methylphenyl)-2-methoxybenzene-1-sulfonamide
CID 53080805

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide (CID 53080742) is 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide is COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1cccc(C)n1.
What is the InChIKey of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is DUSVNDBZMZDDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O5S/c1-13-6-5-7-20(23-13)26-33(29,30)19-12-16(8-10-18(19)31-4)17-9-11-21(28)27(24-17)22-14(2)25-32-15(22)3/h5-12H,1-4H3,(H,23,26).
What are the key properties of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 467.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 53080742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).