2-[2-(benzenesulfonyl)ethyl]-6-phenylpyridazin-3-one

C18H16N2O3S — CID 51108198

IUPAC2-[2-(benzenesulfonyl)ethyl]-6-phenylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H16N2O3S/c21-18-12-11-17(15-7-3-1-4-8-15)19-20(18)13-14-24(22,23)16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyWCOYMHLNXGVBTE-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.38
Rot. Bonds5

About 2-[2-(benzenesulfonyl)ethyl]-6-phenylpyridazin-3-one

2-[2-(benzenesulfonyl)ethyl]-6-phenylpyridazin-3-one (PubChem CID 51108198) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)ethyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)ethyl]-6-phenylpyridazin-3-one
PubChem CID51108198
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-[2-(benzenesulfonyl)ethyl]-6-phenylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H16N2O3S/c21-18-12-11-17(15-7-3-1-4-8-15)19-20(18)13-14-24(22,23)16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyWCOYMHLNXGVBTE-UHFFFAOYSA-N
XLogP2.38
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)ethyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[2-(benzenesulfonyl)ethyl]-6-phenylpyridazin-3-one (CID 51108198) is 2-[2-(benzenesulfonyl)ethyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[2-(benzenesulfonyl)ethyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[2-(benzenesulfonyl)ethyl]-6-phenylpyridazin-3-one is O=c1ccc(-c2ccccc2)nn1CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)ethyl]-6-phenylpyridazin-3-one?
The InChIKey is WCOYMHLNXGVBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-18-12-11-17(15-7-3-1-4-8-15)19-20(18)13-14-24(22,23)16-9-5-2-6-10-16/h1-12H,13-14H2.
What are the key properties of 2-[2-(benzenesulfonyl)ethyl]-6-phenylpyridazin-3-one?
2-[2-(benzenesulfonyl)ethyl]-6-phenylpyridazin-3-one has a molecular weight of 340.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)ethyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 51108198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).