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

C16H11F2N3O3S — CID 127027978

IUPAC4-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)c(F)c3)ccc2=O)cc1
InChIInChI=1S/C16H11F2N3O3S/c17-13-6-1-10(9-14(13)18)15-7-8-16(22)21(20-15)11-2-4-12(5-3-11)25(19,23)24/h1-9H,(H2,19,23,24)
InChIKeyCPIAZPLWSSWLEQ-UHFFFAOYSA-N
MW363.35 g/mol
LogP1.83
Rot. Bonds3

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

4-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide (PubChem CID 127027978) has the molecular formula C16H11F2N3O3S and a molecular weight of 363.35 g/mol. Its IUPAC name is 4-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
PubChem CID127027978
Molecular FormulaC16H11F2N3O3S
Molecular Weight363.35 g/mol
Exact Mass363.05
IUPAC Name4-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)c(F)c3)ccc2=O)cc1
InChIInChI=1S/C16H11F2N3O3S/c17-13-6-1-10(9-14(13)18)15-7-8-16(22)21(20-15)11-2-4-12(5-3-11)25(19,23)24/h1-9H,(H2,19,23,24)
InChIKeyCPIAZPLWSSWLEQ-UHFFFAOYSA-N
XLogP1.83
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide (CID 127027978) is 4-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)c(F)c3)ccc2=O)cc1.
What is the InChIKey of 4-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The InChIKey is CPIAZPLWSSWLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O3S/c17-13-6-1-10(9-14(13)18)15-7-8-16(22)21(20-15)11-2-4-12(5-3-11)25(19,23)24/h1-9H,(H2,19,23,24).
What are the key properties of 4-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
4-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide has a molecular weight of 363.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 127027978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).