3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one

C15H12N2O3S — CID 22721967

IUPAC3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)Cc2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C15H12N2O3S/c18-14-7-8-15(17-16-14)21(19,20)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H,16,18)
InChIKeyIKUWURMTHVRSCG-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.90
Rot. Bonds3

About 3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one

3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one (PubChem CID 22721967) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one
PubChem CID22721967
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)Cc2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C15H12N2O3S/c18-14-7-8-15(17-16-14)21(19,20)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H,16,18)
InChIKeyIKUWURMTHVRSCG-UHFFFAOYSA-N
XLogP1.90
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one (CID 22721967) is 3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one is O=c1ccc(S(=O)(=O)Cc2ccc3ccccc3c2)n[nH]1.
What is the InChIKey of 3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one?
The InChIKey is IKUWURMTHVRSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-14-7-8-15(17-16-14)21(19,20)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H,16,18).
What are the key properties of 3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one?
3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one has a molecular weight of 300.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylmethylsulfonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 22721967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).