3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide

C18H15F2N3O3S — CID 121033963

IUPAC3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESO=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C18H15F2N3O3S/c19-14-10-15(20)12-16(11-14)27(25,26)21-8-9-23-18(24)7-6-17(22-23)13-4-2-1-3-5-13/h1-7,10-12,21H,8-9H2
InChIKeyVZUMRMJLVYBHOZ-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.17
Rot. Bonds6

About 3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide

3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 121033963) has the molecular formula C18H15F2N3O3S and a molecular weight of 391.40 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
PubChem CID121033963
Molecular FormulaC18H15F2N3O3S
Molecular Weight391.40 g/mol
Exact Mass391.08
IUPAC Name3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESO=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C18H15F2N3O3S/c19-14-10-15(20)12-16(11-14)27(25,26)21-8-9-23-18(24)7-6-17(22-23)13-4-2-1-3-5-13/h1-7,10-12,21H,8-9H2
InChIKeyVZUMRMJLVYBHOZ-UHFFFAOYSA-N
XLogP2.17
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 41241318
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3,5-difluorobenzenesulfonamide
CID 121034045
4-fluoro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 18569804
3-fluoro-4-methoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825985
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3,5-difluorobenzenesulfonamide
CID 122278279
3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 20932408
2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 18569765
4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 41241285
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-3-nitrobenzenesulfonamide
CID 41241418
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-fluorobenzenesulfonamide
CID 41241467
2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825990
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide
CID 41241395

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide (CID 121033963) is 3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide is O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is VZUMRMJLVYBHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3S/c19-14-10-15(20)12-16(11-14)27(25,26)21-8-9-23-18(24)7-6-17(22-23)13-4-2-1-3-5-13/h1-7,10-12,21H,8-9H2.
What are the key properties of 3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide?
3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 391.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 121033963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).