2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one

C22H23FN4O3S — CID 30864679

IUPAC2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CCN1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H23FN4O3S/c23-19-8-4-5-9-21(19)31(29,30)26-15-12-25(13-16-26)14-17-27-22(28)11-10-20(24-27)18-6-2-1-3-7-18/h1-11H,12-17H2
InChIKeyMBQCPVOFHMNEAN-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.06
Rot. Bonds6

About 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one

2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one (PubChem CID 30864679) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one
PubChem CID30864679
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC Name2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CCN1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H23FN4O3S/c23-19-8-4-5-9-21(19)31(29,30)26-15-12-25(13-16-26)14-17-27-22(28)11-10-20(24-27)18-6-2-1-3-7-18/h1-11H,12-17H2
InChIKeyMBQCPVOFHMNEAN-UHFFFAOYSA-N
XLogP2.06
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride
CID 163331835
1-(2-fluorophenyl)sulfonyl-4-pentylpiperazine
CID 45369127
2-[2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915553
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-fluorobenzenesulfonamide
CID 41241467
3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 24588851
2-[(2-fluorophenyl)methyl]-6-phenylpyridazin-3-one
CID 6461113
1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 26527715
2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 139027961
4-morpholin-4-ylsulfonyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 18569629
1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 61046329
3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033963

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one (CID 30864679) is 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one is O=c1ccc(-c2ccccc2)nn1CCN1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one?
The InChIKey is MBQCPVOFHMNEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c23-19-8-4-5-9-21(19)31(29,30)26-15-12-25(13-16-26)14-17-27-22(28)11-10-20(24-27)18-6-2-1-3-7-18/h1-11H,12-17H2.
What are the key properties of 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one?
2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one has a molecular weight of 442.52 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 30864679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).