4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one

C20H18ClFN4O3S — CID 26451386

IUPAC4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(S(=O)(=O)c3ccccc3F)CC2)cnn1-c1ccccc1
InChIInChI=1S/C20H18ClFN4O3S/c21-19-17(14-23-26(20(19)27)15-6-2-1-3-7-15)24-10-12-25(13-11-24)30(28,29)18-9-5-4-8-16(18)22/h1-9,14H,10-13H2
InChIKeyXGMOWDYBNRZEGN-UHFFFAOYSA-N
MW448.91 g/mol
LogP2.54
Rot. Bonds4

About 4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one

4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 26451386) has the molecular formula C20H18ClFN4O3S and a molecular weight of 448.91 g/mol. Its IUPAC name is 4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one
PubChem CID26451386
Molecular FormulaC20H18ClFN4O3S
Molecular Weight448.91 g/mol
Exact Mass448.08
IUPAC Name4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(S(=O)(=O)c3ccccc3F)CC2)cnn1-c1ccccc1
InChIInChI=1S/C20H18ClFN4O3S/c21-19-17(14-23-26(20(19)27)15-6-2-1-3-7-15)24-10-12-25(13-11-24)30(28,29)18-9-5-4-8-16(18)22/h1-9,14H,10-13H2
InChIKeyXGMOWDYBNRZEGN-UHFFFAOYSA-N
XLogP2.54
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one
CID 31534078
4-(3-benzyl-1,3-diazinan-1-yl)-5-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one
CID 59372598
4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one
CID 133314120
4-chloro-5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 133313381
4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317828
4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31921656
4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide
CID 112840789
4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
CID 133306124
5-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 26701139
4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 9172556
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 9206668
4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
CID 133271354

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one (CID 26451386) is 4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one is O=c1c(Cl)c(N2CCN(S(=O)(=O)c3ccccc3F)CC2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is XGMOWDYBNRZEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O3S/c21-19-17(14-23-26(20(19)27)15-6-2-1-3-7-15)24-10-12-25(13-11-24)30(28,29)18-9-5-4-8-16(18)22/h1-9,14H,10-13H2.
What are the key properties of 4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 448.91 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 26451386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).