4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one

C19H19ClN4O3S — CID 17130807

IUPAC4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one
SMILESCn1ncc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(Cl)c1=O
InChIInChI=1S/C19H19ClN4O3S/c1-22-19(25)18(20)17(13-21-22)23-8-10-24(11-9-23)28(26,27)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13H,8-11H2,1H3
InChIKeyCXNLYSLQDGZFON-UHFFFAOYSA-N
MW418.91 g/mol
LogP2.10
Rot. Bonds3

About 4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one

4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one (PubChem CID 17130807) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one
PubChem CID17130807
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one
SMILESCn1ncc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(Cl)c1=O
InChIInChI=1S/C19H19ClN4O3S/c1-22-19(25)18(20)17(13-21-22)23-8-10-24(11-9-23)28(26,27)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13H,8-11H2,1H3
InChIKeyCXNLYSLQDGZFON-UHFFFAOYSA-N
XLogP2.10
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one
CID 3709395
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CID 872090
4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 17088020
4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 122343389
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 55428799
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
CID 18144515
1-methylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 126477286
4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 71861488
1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1282318
(1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 60527755
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 17451097

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one (CID 17130807) is 4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one is Cn1ncc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is CXNLYSLQDGZFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-22-19(25)18(20)17(13-21-22)23-8-10-24(11-9-23)28(26,27)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one?
4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 418.91 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 17130807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).