N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide

C21H18ClN5O5S — CID 53080739

IUPACN-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C21H18ClN5O5S/c1-12-21(13(2)32-25-12)27-20(28)9-6-16(24-27)14-4-7-17(31-3)18(10-14)33(29,30)26-19-8-5-15(22)11-23-19/h4-11H,1-3H3,(H,23,26)
InChIKeyVONNQROOBIZMIC-UHFFFAOYSA-N
MW487.93 g/mol
LogP3.36
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide

N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide (PubChem CID 53080739) has the molecular formula C21H18ClN5O5S and a molecular weight of 487.93 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide
PubChem CID53080739
Molecular FormulaC21H18ClN5O5S
Molecular Weight487.93 g/mol
Exact Mass487.07
IUPAC NameN-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C21H18ClN5O5S/c1-12-21(13(2)32-25-12)27-20(28)9-6-16(24-27)14-4-7-17(31-3)18(10-14)33(29,30)26-19-8-5-15(22)11-23-19/h4-11H,1-3H3,(H,23,26)
InChIKeyVONNQROOBIZMIC-UHFFFAOYSA-N
XLogP3.36
TPSA129.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.93
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
N-(5-Chloropyridin-2-YL)-5-[1-(3,5-dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-2-methylbenzene-1-sulfonamide
CID 53007195
N-(5-Chloropyridin-2-YL)-1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-YL}sulfonyl)piperidine-4-carboxamide
CID 20858454
N-{5-[(1Z)-2-(4-Methoxy-3-{[4-(pyridin-2-YL)piperazin-1-YL]sulfonyl}phenyl)ethenyl]-3-methyl-1,2-oxazol-4-YL}acetamide
CID 46394127
N-{5-[(1Z)-2-(4-Methoxy-3-{[4-(pyrimidin-2-YL)piperazin-1-YL]sulfonyl}phenyl)ethenyl]-3-methyl-1,2-oxazol-4-YL}acetamide
CID 46394141
5-[1-(3,5-Dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-2-methyl-N-(5-methylpyridin-2-YL)benzene-1-sulfonamide
CID 53080646
5-[1-(3,5-Dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-2-methoxy-N-[(pyridin-3-YL)methyl]benzene-1-sulfonamide
CID 53080740
5-[1-(3,5-Dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-2-methoxy-N-(3-methylpyridin-2-YL)benzene-1-sulfonamide
CID 53080741
5-[1-(3,5-Dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-2-methoxy-N-(6-methylpyridin-2-YL)benzene-1-sulfonamide
CID 53080742
5-[1-(3,5-Dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-2-methoxy-N-(pyridin-3-YL)benzene-1-sulfonamide
CID 53080743
N-(3-Chlorophenyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-2-methoxybenzene-1-sulfonamide
CID 53080748
N-(4-Chlorophenyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-2-methoxybenzene-1-sulfonamide
CID 53080749

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide (CID 53080739) is N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide is COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide?
The InChIKey is VONNQROOBIZMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O5S/c1-12-21(13(2)32-25-12)27-20(28)9-6-16(24-27)14-4-7-17(31-3)18(10-14)33(29,30)26-19-8-5-15(22)11-23-19/h4-11H,1-3H3,(H,23,26).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide has a molecular weight of 487.93 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 53080739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).