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

C16H15Cl2FN4O4S — CID 46605780

IUPAC4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H15Cl2FN4O4S/c17-13-9-20-23(16(25)15(13)18)10-14(24)21-5-7-22(8-6-21)28(26,27)12-3-1-11(19)2-4-12/h1-4,9H,5-8,10H2
InChIKeyCYACRLBRMQFNRF-UHFFFAOYSA-N
MW449.29 g/mol
LogP1.22
Rot. Bonds4

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

4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 46605780) has the molecular formula C16H15Cl2FN4O4S and a molecular weight of 449.29 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID46605780
Molecular FormulaC16H15Cl2FN4O4S
Molecular Weight449.29 g/mol
Exact Mass448.02
IUPAC Name4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H15Cl2FN4O4S/c17-13-9-20-23(16(25)15(13)18)10-14(24)21-5-7-22(8-6-21)28(26,27)12-3-1-11(19)2-4-12/h1-4,9H,5-8,10H2
InChIKeyCYACRLBRMQFNRF-UHFFFAOYSA-N
XLogP1.22
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dichloro-2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 2093925
2-chloro-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 156906193
2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 18228065
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-pyrazol-1-ylethanone
CID 99163816
4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 8520544
4,5-dichloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]pyridazin-3-one
CID 17471659
2-(2,3-dichlorophenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 34194223
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one
CID 18776705
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 55827655
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 18208683
1-ethyl-4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]piperazine-2,3-dione
CID 55909367
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 9326847

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 46605780) is 4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one is O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is CYACRLBRMQFNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN4O4S/c17-13-9-20-23(16(25)15(13)18)10-14(24)21-5-7-22(8-6-21)28(26,27)12-3-1-11(19)2-4-12/h1-4,9H,5-8,10H2.
What are the key properties of 4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 449.29 g/mol, XLogP of 1.22, 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-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 46605780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).