4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide

C19H13F4N3O3S — CID 68946774

IUPAC4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnn(/C=C(\F)C(F)F)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H13F4N3O3S/c20-13-5-1-12(2-6-13)17-15(11-3-7-14(8-4-11)30(24,28)29)9-25-26(19(17)27)10-16(21)18(22)23/h1-10,18H,(H2,24,28,29)/b16-10-
InChIKeyOFFZEDWHNAPTHU-YBEGLDIGSA-N
MW439.39 g/mol
LogP3.40
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide

4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide (PubChem CID 68946774) has the molecular formula C19H13F4N3O3S and a molecular weight of 439.39 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide
PubChem CID68946774
Molecular FormulaC19H13F4N3O3S
Molecular Weight439.39 g/mol
Exact Mass439.06
IUPAC Name4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnn(/C=C(\F)C(F)F)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H13F4N3O3S/c20-13-5-1-12(2-6-13)17-15(11-3-7-14(8-4-11)30(24,28)29)9-25-26(19(17)27)10-16(21)18(22)23/h1-10,18H,(H2,24,28,29)/b16-10-
InChIKeyOFFZEDWHNAPTHU-YBEGLDIGSA-N
XLogP3.40
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one
CID 174386856
4-(4-fluorophenyl)-2,5-bis(4-methylsulfonylphenyl)pyridazin-3-one
CID 10185280
2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide
CID 67646279
2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CID 139947672
4-[1-benzyl-5-(4-fluorophenyl)-6-oxopyridazin-4-yl]benzenesulfonyl chloride
CID 10297916
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 10180820
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide
CID 177458625
4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CID 10296606
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one
CID 10297026
2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate
CID 18914552
4-[5-[3-(aminomethyl)-4-fluorophenyl]-1-(3-chloro-4-fluorophenyl)-6-oxopyridazin-4-yl]benzenesulfonamide
CID 172857525

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide (CID 68946774) is 4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cnn(/C=C(\F)C(F)F)c(=O)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide?
The InChIKey is OFFZEDWHNAPTHU-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H13F4N3O3S/c20-13-5-1-12(2-6-13)17-15(11-3-7-14(8-4-11)30(24,28)29)9-25-26(19(17)27)10-16(21)18(22)23/h1-10,18H,(H2,24,28,29)/b16-10-.
What are the key properties of 4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide?
4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide has a molecular weight of 439.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-6-oxo-1-[(Z)-2,3,3-trifluoroprop-1-enyl]pyridazin-4-yl]benzenesulfonamide is sourced from PubChem (CID 68946774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).