6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one

C19H20N4O4S — CID 2080058

IUPAC6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one
SMILESO=C1CC=C(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)NN1
InChIInChI=1S/C19H20N4O4S/c24-18-8-7-17(20-21-18)19(25)22-9-11-23(12-10-22)28(26,27)16-6-5-14-3-1-2-4-15(14)13-16/h1-7,13,20H,8-12H2,(H,21,24)
InChIKeyDLRASRVXDFPIDE-UHFFFAOYSA-N
MW400.46 g/mol
LogP0.58
Rot. Bonds3

About 6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one

6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one (PubChem CID 2080058) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one.

Molecular Properties

Compound Name6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one
PubChem CID2080058
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one
SMILESO=C1CC=C(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)NN1
InChIInChI=1S/C19H20N4O4S/c24-18-8-7-17(20-21-18)19(25)22-9-11-23(12-10-22)28(26,27)16-6-5-14-3-1-2-4-15(14)13-16/h1-7,13,20H,8-12H2,(H,21,24)
InChIKeyDLRASRVXDFPIDE-UHFFFAOYSA-N
XLogP0.58
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one with MolForge

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Related Compounds

(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-phenylmethanone;oxalic acid
CID 163326596
(4-ethoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2673957
(6-methyl-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18148430
(2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 7535266
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-(2,3,4,5-tetrafluorophenyl)methanone
CID 2127586
(5-chloro-2-hydroxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18105471
(2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 33240685
(2-chloro-4-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 32694457
(2-chloro-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9495925
(3-ethoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 52693720
3,3-dimethyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one
CID 17478579
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722

Frequently Asked Questions

What is the IUPAC name of 6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one?
The IUPAC name of 6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one (CID 2080058) is 6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one.
What is the SMILES notation for 6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one?
The canonical SMILES for 6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one is O=C1CC=C(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)NN1.
What is the InChIKey of 6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one?
The InChIKey is DLRASRVXDFPIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c24-18-8-7-17(20-21-18)19(25)22-9-11-23(12-10-22)28(26,27)16-6-5-14-3-1-2-4-15(14)13-16/h1-7,13,20H,8-12H2,(H,21,24).
What are the key properties of 6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one?
6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one has a molecular weight of 400.46 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2,4-dihydro-1H-pyridazin-3-one is sourced from PubChem (CID 2080058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).