2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one

C15H18N2O3S — CID 142685613

IUPAC2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCCCCn1ncc(-c2ccc(S(C)(=O)=O)cc2)cc1=O
InChIInChI=1S/C15H18N2O3S/c1-3-4-9-17-15(18)10-13(11-16-17)12-5-7-14(8-6-12)21(2,19)20/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyTVBRWODEIRQFMO-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.11
Rot. Bonds5

About 2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one

2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one (PubChem CID 142685613) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one
PubChem CID142685613
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCCCCn1ncc(-c2ccc(S(C)(=O)=O)cc2)cc1=O
InChIInChI=1S/C15H18N2O3S/c1-3-4-9-17-15(18)10-13(11-16-17)12-5-7-14(8-6-12)21(2,19)20/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyTVBRWODEIRQFMO-UHFFFAOYSA-N
XLogP2.11
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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5-(2-ethyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one
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[1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine
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2-benzyl-5-phenylpyridazin-3-one
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5-butyl-8-(4-methylsulfonylphenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
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(4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone
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4-(4-methylsulfonylphenyl)pyridine
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1-butyl-5-methylpyrazole-4-sulfonyl chloride
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1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine
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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one (CID 142685613) is 2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one is CCCCn1ncc(-c2ccc(S(C)(=O)=O)cc2)cc1=O.
What is the InChIKey of 2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The InChIKey is TVBRWODEIRQFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-4-9-17-15(18)10-13(11-16-17)12-5-7-14(8-6-12)21(2,19)20/h5-8,10-11H,3-4,9H2,1-2H3.
What are the key properties of 2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one?
2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one has a molecular weight of 306.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 142685613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).