2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide

C18H14FN3O4S — CID 30849538

IUPAC2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)Nc1ccccc1F
InChIInChI=1S/C18H14FN3O4S/c19-14-8-4-5-9-15(14)20-16(23)12-22-18(24)11-10-17(21-22)27(25,26)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,23)
InChIKeyUIEOGSGVZCVBCF-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.85
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide

2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 30849538) has the molecular formula C18H14FN3O4S and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID30849538
Molecular FormulaC18H14FN3O4S
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC Name2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)Nc1ccccc1F
InChIInChI=1S/C18H14FN3O4S/c19-14-8-4-5-9-15(14)20-16(23)12-22-18(24)11-10-17(21-22)27(25,26)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,23)
InChIKeyUIEOGSGVZCVBCF-UHFFFAOYSA-N
XLogP1.85
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide
CID 369523
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(phenylsulfonyl)acetamide
CID 2222390
1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, 5,5-dioxide
CID 3079878
1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(3-(dimethylamino)propyl)-, 5,5-dioxide
CID 3079879
1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(diethylamino)ethyl)-, 5,5-dioxide
CID 3079880
1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(diethylamino)ethyl)-, N,5,5-trioxide, trihydrate
CID 3079884
N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 7659576
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-(phenylsulfonyl)pyridazin-1(6H)-yl)acetamide
CID 30849542
N-(2,5-difluorophenyl)-2-(6-oxo-3-(phenylsulfonyl)pyridazin-1(6H)-yl)acetamide
CID 30849543
N-(3,4-difluorophenyl)-2-[3-oxo-6-(phenylsulfonyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
CID 44117325
N-(2-chloro-4-fluorophenyl)-2-(3-((3-fluorophenyl)sulfonyl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 49668556
N-(2-chlorophenyl)-2-(6-oxo-3-(phenylsulfonyl)pyridazin-1(6H)-yl)acetamide
CID 30849535

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide (CID 30849538) is 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide is O=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)Nc1ccccc1F.
What is the InChIKey of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is UIEOGSGVZCVBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4S/c19-14-8-4-5-9-15(14)20-16(23)12-22-18(24)11-10-17(21-22)27(25,26)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,23).
What are the key properties of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 387.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 30849538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).