4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one

C24H21BrN4O3S — CID 3709395

IUPAC4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one
SMILESO=c1c(Br)c(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C24H21BrN4O3S/c25-23-22(17-26-29(24(23)30)20-8-2-1-3-9-20)27-12-14-28(15-13-27)33(31,32)21-11-10-18-6-4-5-7-19(18)16-21/h1-11,16-17H,12-15H2
InChIKeyNRIZEEVFLPOHKQ-UHFFFAOYSA-N
MW525.43 g/mol
LogP3.66
Rot. Bonds4

About 4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one

4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one (PubChem CID 3709395) has the molecular formula C24H21BrN4O3S and a molecular weight of 525.43 g/mol. Its IUPAC name is 4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one
PubChem CID3709395
Molecular FormulaC24H21BrN4O3S
Molecular Weight525.43 g/mol
Exact Mass524.05
IUPAC Name4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one
SMILESO=c1c(Br)c(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C24H21BrN4O3S/c25-23-22(17-26-29(24(23)30)20-8-2-1-3-9-20)27-12-14-28(15-13-27)33(31,32)21-11-10-18-6-4-5-7-19(18)16-21/h1-11,16-17H,12-15H2
InChIKeyNRIZEEVFLPOHKQ-UHFFFAOYSA-N
XLogP3.66
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one
CID 17130807
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one
CID 26451386
2-(4-bromopyrazol-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 52667917
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
CID 18144515
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
1-methylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 126477286
4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one
CID 31534078
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 17451097
6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one
CID 1248585
N-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 58845086
4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine
CID 121187246

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one?
The IUPAC name of 4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one (CID 3709395) is 4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one is O=c1c(Br)c(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one?
The InChIKey is NRIZEEVFLPOHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN4O3S/c25-23-22(17-26-29(24(23)30)20-8-2-1-3-9-20)27-12-14-28(15-13-27)33(31,32)21-11-10-18-6-4-5-7-19(18)16-21/h1-11,16-17H,12-15H2.
What are the key properties of 4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one?
4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one has a molecular weight of 525.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one is sourced from PubChem (CID 3709395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).