4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one

C20H17Cl2FN4O3S — CID 31534078

IUPAC4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H17Cl2FN4O3S/c21-16-13-24-27(20(28)19(16)22)14-5-7-15(8-6-14)31(29,30)26-11-9-25(10-12-26)18-4-2-1-3-17(18)23/h1-8,13H,9-12H2
InChIKeyCSGHIXULRDDWAR-UHFFFAOYSA-N
MW483.35 g/mol
LogP3.19
Rot. Bonds4

About 4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one

4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one (PubChem CID 31534078) has the molecular formula C20H17Cl2FN4O3S and a molecular weight of 483.35 g/mol. Its IUPAC name is 4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one
PubChem CID31534078
Molecular FormulaC20H17Cl2FN4O3S
Molecular Weight483.35 g/mol
Exact Mass482.04
IUPAC Name4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H17Cl2FN4O3S/c21-16-13-24-27(20(28)19(16)22)14-5-7-15(8-6-14)31(29,30)26-11-9-25(10-12-26)18-4-2-1-3-17(18)23/h1-8,13H,9-12H2
InChIKeyCSGHIXULRDDWAR-UHFFFAOYSA-N
XLogP3.19
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one
CID 26451386
4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one
CID 31535145
1-[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 55598683
4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide
CID 112840789
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2059106
1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113076622
N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
CID 24662160
(4S)-4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 42558865
4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one
CID 3709395
4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride
CID 18983164
5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one
CID 26436355
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(2,3-dihydroindol-1-yl)propyl]benzenesulfonamide
CID 37309220

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one (CID 31534078) is 4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one?
The InChIKey is CSGHIXULRDDWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2FN4O3S/c21-16-13-24-27(20(28)19(16)22)14-5-7-15(8-6-14)31(29,30)26-11-9-25(10-12-26)18-4-2-1-3-17(18)23/h1-8,13H,9-12H2.
What are the key properties of 4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one?
4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one has a molecular weight of 483.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one is sourced from PubChem (CID 31534078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).