5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide

C22H19FN4O4S — CID 53080667

IUPAC5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C22H19FN4O4S/c1-13-8-9-16(12-20(13)32(29,30)26-19-7-5-4-6-17(19)23)18-10-11-21(28)27(24-18)22-14(2)25-31-15(22)3/h4-12,26H,1-3H3
InChIKeyTVQNWZBPGHZLMX-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.75
Rot. Bonds5

About 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide

5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide (PubChem CID 53080667) has the molecular formula C22H19FN4O4S and a molecular weight of 454.48 g/mol. Its IUPAC name is 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
PubChem CID53080667
Molecular FormulaC22H19FN4O4S
Molecular Weight454.48 g/mol
Exact Mass454.11
IUPAC Name5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C22H19FN4O4S/c1-13-8-9-16(12-20(13)32(29,30)26-19-7-5-4-6-17(19)23)18-10-11-21(28)27(24-18)22-14(2)25-31-15(22)3/h4-12,26H,1-3H3
InChIKeyTVQNWZBPGHZLMX-UHFFFAOYSA-N
XLogP3.75
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridazin-3-one
CID 83278229
N-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide
CID 83273980
N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide
CID 53080810
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 53080787
N-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide
CID 83273930
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 25489998
3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride
CID 16782218
N-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
CID 26950186
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 20935537
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 53079363
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide (CID 53080667) is 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide is Cc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is TVQNWZBPGHZLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O4S/c1-13-8-9-16(12-20(13)32(29,30)26-19-7-5-4-6-17(19)23)18-10-11-21(28)27(24-18)22-14(2)25-31-15(22)3/h4-12,26H,1-3H3.
What are the key properties of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide?
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide has a molecular weight of 454.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]-N-(2-fluorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 53080667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).