3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine

C17H15N3O2S — CID 138603848

IUPAC3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine
SMILESCCS(=O)(=O)c1cccnc1-c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C17H15N3O2S/c1-2-23(21,22)16-9-6-12-18-17(16)15-11-10-14(19-20-15)13-7-4-3-5-8-13/h3-12H,2H2,1H3
InChIKeyZXEJZSQCAQFTKK-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.00
Rot. Bonds4

About 3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine

3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine (PubChem CID 138603848) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine.

Molecular Properties

Compound Name3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine
PubChem CID138603848
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine
SMILESCCS(=O)(=O)c1cccnc1-c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C17H15N3O2S/c1-2-23(21,22)16-9-6-12-18-17(16)15-11-10-14(19-20-15)13-7-4-3-5-8-13/h3-12H,2H2,1H3
InChIKeyZXEJZSQCAQFTKK-UHFFFAOYSA-N
XLogP3.00
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine?
The IUPAC name of 3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine (CID 138603848) is 3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine.
What is the SMILES notation for 3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine?
The canonical SMILES for 3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine is CCS(=O)(=O)c1cccnc1-c1ccc(-c2ccccc2)nn1.
What is the InChIKey of 3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine?
The InChIKey is ZXEJZSQCAQFTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-2-23(21,22)16-9-6-12-18-17(16)15-11-10-14(19-20-15)13-7-4-3-5-8-13/h3-12H,2H2,1H3.
What are the key properties of 3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine?
3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine has a molecular weight of 325.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine is sourced from PubChem (CID 138603848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).