6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one

C21H20Cl2N4O4S — CID 3668110

IUPAC6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C21H20Cl2N4O4S/c22-15-6-7-17(23)19(14-15)32(30,31)26-12-10-25(11-13-26)21(29)18-8-9-20(28)27(24-18)16-4-2-1-3-5-16/h1-7,14H,8-13H2
InChIKeyJHUXWBPLLPYEEU-UHFFFAOYSA-N
MW495.39 g/mol
LogP3.01
Rot. Bonds4

About 6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one

6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 3668110) has the molecular formula C21H20Cl2N4O4S and a molecular weight of 495.39 g/mol. Its IUPAC name is 6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
PubChem CID3668110
Molecular FormulaC21H20Cl2N4O4S
Molecular Weight495.39 g/mol
Exact Mass494.06
IUPAC Name6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C21H20Cl2N4O4S/c22-15-6-7-17(23)19(14-15)32(30,31)26-12-10-25(11-13-26)21(29)18-8-9-20(28)27(24-18)16-4-2-1-3-5-16/h1-7,14H,8-13H2
InChIKeyJHUXWBPLLPYEEU-UHFFFAOYSA-N
XLogP3.01
TPSA90.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
CID 3823732
2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4672455
2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 941442
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9496675
2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one
CID 53499713
6-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3922310
4-hydroxy-1-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxylic acid
CID 119250734
6-(4-cyclohexylpiperazine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
CID 3997617
6-[4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 17482980
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 38170782
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 16615041
6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
CID 24682928

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one (CID 3668110) is 6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one is O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is JHUXWBPLLPYEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O4S/c22-15-6-7-17(23)19(14-15)32(30,31)26-12-10-25(11-13-26)21(29)18-8-9-20(28)27(24-18)16-4-2-1-3-5-16/h1-7,14H,8-13H2.
What are the key properties of 6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one?
6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 495.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 3668110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).