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

C18H15ClFN3O3S — CID 20932408

IUPAC3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
SMILESO=c1ccc(-c2ccc(F)cc2)nn1CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClFN3O3S/c19-14-2-1-3-16(12-14)27(25,26)21-10-11-23-18(24)9-8-17(22-23)13-4-6-15(20)7-5-13/h1-9,12,21H,10-11H2
InChIKeyGBMFWBLMXSCVHY-UHFFFAOYSA-N
MW407.85 g/mol
LogP2.68
Rot. Bonds6

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

3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 20932408) has the molecular formula C18H15ClFN3O3S and a molecular weight of 407.85 g/mol. Its IUPAC name is 3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
PubChem CID20932408
Molecular FormulaC18H15ClFN3O3S
Molecular Weight407.85 g/mol
Exact Mass407.05
IUPAC Name3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
SMILESO=c1ccc(-c2ccc(F)cc2)nn1CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClFN3O3S/c19-14-2-1-3-16(12-14)27(25,26)21-10-11-23-18(24)9-8-17(22-23)13-4-6-15(20)7-5-13/h1-9,12,21H,10-11H2
InChIKeyGBMFWBLMXSCVHY-UHFFFAOYSA-N
XLogP2.68
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 52.68
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
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-3-nitrobenzenesulfonamide
CID 41241418
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 41241474
3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905803
3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033963
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-fluorobenzenesulfonamide
CID 41241467
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide
CID 41241395
3-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539179
4-fluoro-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]benzenesulfonamide
CID 42138848
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 41241369
4-chloro-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 16820343
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3,5-difluorobenzenesulfonamide
CID 121034045

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide (CID 20932408) is 3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide is O=c1ccc(-c2ccc(F)cc2)nn1CCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is GBMFWBLMXSCVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3S/c19-14-2-1-3-16(12-14)27(25,26)21-10-11-23-18(24)9-8-17(22-23)13-4-6-15(20)7-5-13/h1-9,12,21H,10-11H2.
What are the key properties of 3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide?
3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 407.85 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 20932408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).