4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide

C16H12FN3O3S — CID 127029514

IUPAC4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C16H12FN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)
InChIKeyRVTCKLNSMDIZLU-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.69
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide

4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide (PubChem CID 127029514) has the molecular formula C16H12FN3O3S and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
PubChem CID127029514
Molecular FormulaC16H12FN3O3S
Molecular Weight345.36 g/mol
Exact Mass345.06
IUPAC Name4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C16H12FN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)
InChIKeyRVTCKLNSMDIZLU-UHFFFAOYSA-N
XLogP1.69
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide (CID 127029514) is 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)ccc2=O)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The InChIKey is RVTCKLNSMDIZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23).
What are the key properties of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide has a molecular weight of 345.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 127029514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).