6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one

C15H18N4O4S — CID 2161702

IUPAC6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one
SMILESO=C1CC=C(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)NN1
InChIInChI=1S/C15H18N4O4S/c20-14-7-6-13(16-17-14)15(21)18-8-10-19(11-9-18)24(22,23)12-4-2-1-3-5-12/h1-6,16H,7-11H2,(H,17,20)
InChIKeyJVWNWPIFMUOEGB-UHFFFAOYSA-N
MW350.40 g/mol
LogP-0.57
Rot. Bonds3

About 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one

6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one (PubChem CID 2161702) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one
PubChem CID2161702
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one
SMILESO=C1CC=C(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)NN1
InChIInChI=1S/C15H18N4O4S/c20-14-7-6-13(16-17-14)15(21)18-8-10-19(11-9-18)24(22,23)12-4-2-1-3-5-12/h1-6,16H,7-11H2,(H,17,20)
InChIKeyJVWNWPIFMUOEGB-UHFFFAOYSA-N
XLogP-0.57
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one?
The IUPAC name of 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one (CID 2161702) is 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one.
What is the SMILES notation for 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one?
The canonical SMILES for 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one is O=C1CC=C(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)NN1.
What is the InChIKey of 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one?
The InChIKey is JVWNWPIFMUOEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c20-14-7-6-13(16-17-14)15(21)18-8-10-19(11-9-18)24(22,23)12-4-2-1-3-5-12/h1-6,16H,7-11H2,(H,17,20).
What are the key properties of 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one?
6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one has a molecular weight of 350.40 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2,4-dihydro-1H-pyridazin-3-one is sourced from PubChem (CID 2161702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).