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

C21H22N4O4S — CID 3823732

IUPAC6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H22N4O4S/c26-20-12-11-19(22-25(20)17-7-3-1-4-8-17)21(27)23-13-15-24(16-14-23)30(28,29)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyDFTMSZYFKMGPKO-UHFFFAOYSA-N
MW426.50 g/mol
LogP1.70
Rot. Bonds4

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

6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 3823732) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
PubChem CID3823732
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H22N4O4S/c26-20-12-11-19(22-25(20)17-7-3-1-4-8-17)21(27)23-13-15-24(16-14-23)30(28,29)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyDFTMSZYFKMGPKO-UHFFFAOYSA-N
XLogP1.70
TPSA90.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
CID 3668110
6-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3922310
2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one
CID 53499713
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-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
CID 24682928
N'-(3-morpholin-4-ylsulfonylbenzoyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbohydrazide
CID 3927592
6-[4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 17482980
2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 941442
[4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 38820717
6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one
CID 3816156
6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3978494

Frequently Asked Questions

What is the IUPAC name of 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one (CID 3823732) is 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one is O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is DFTMSZYFKMGPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c26-20-12-11-19(22-25(20)17-7-3-1-4-8-17)21(27)23-13-15-24(16-14-23)30(28,29)18-9-5-2-6-10-18/h1-10H,11-16H2.
What are the key properties of 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one?
6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 426.50 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 3823732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).