N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide

C13H14FN3O3S — CID 41241395

IUPACN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C13H14FN3O3S/c1-21(19,20)15-8-9-17-13(18)7-6-12(16-17)10-2-4-11(14)5-3-10/h2-7,15H,8-9H2,1H3
InChIKeyBCZGEQLXDISAQT-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.60
Rot. Bonds5

About N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide

N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide (PubChem CID 41241395) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide
PubChem CID41241395
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC NameN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C13H14FN3O3S/c1-21(19,20)15-8-9-17-13(18)7-6-12(16-17)10-2-4-11(14)5-3-10/h2-7,15H,8-9H2,1H3
InChIKeyBCZGEQLXDISAQT-UHFFFAOYSA-N
XLogP0.60
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 18569804
4-fluoro-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]benzenesulfonamide
CID 42138848
3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 20932408
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 121033510
2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide
CID 90518927
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 139027512
3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033963
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-3-nitrobenzenesulfonamide
CID 41241418
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3,5-difluorobenzenesulfonamide
CID 121034045
6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one
CID 122281789
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-fluorobenzenesulfonamide
CID 41241467
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 18569696

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide (CID 41241395) is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide?
The InChIKey is BCZGEQLXDISAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c1-21(19,20)15-8-9-17-13(18)7-6-12(16-17)10-2-4-11(14)5-3-10/h2-7,15H,8-9H2,1H3.
What are the key properties of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide?
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide has a molecular weight of 311.34 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 41241395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).