3-pyrrol-1-ylsulfonyl-1H-pyridazin-6-one

C8H7N3O3S — CID 12071778

IUPAC3-pyrrol-1-ylsulfonyl-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)n2cccc2)n[nH]1
InChIInChI=1S/C8H7N3O3S/c12-7-3-4-8(10-9-7)15(13,14)11-5-1-2-6-11/h1-6H,(H,9,12)
InChIKeyTWBJWMKHMNWGNT-UHFFFAOYSA-N
MW225.23 g/mol
LogP-0.19
Rot. Bonds2

About 3-pyrrol-1-ylsulfonyl-1H-pyridazin-6-one

3-pyrrol-1-ylsulfonyl-1H-pyridazin-6-one (PubChem CID 12071778) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is 3-pyrrol-1-ylsulfonyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-pyrrol-1-ylsulfonyl-1H-pyridazin-6-one
PubChem CID12071778
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC Name3-pyrrol-1-ylsulfonyl-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)n2cccc2)n[nH]1
InChIInChI=1S/C8H7N3O3S/c12-7-3-4-8(10-9-7)15(13,14)11-5-1-2-6-11/h1-6H,(H,9,12)
InChIKeyTWBJWMKHMNWGNT-UHFFFAOYSA-N
XLogP-0.19
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-ylsulfonyl-1H-pyridazin-6-one?
The IUPAC name of 3-pyrrol-1-ylsulfonyl-1H-pyridazin-6-one (CID 12071778) is 3-pyrrol-1-ylsulfonyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-pyrrol-1-ylsulfonyl-1H-pyridazin-6-one?
The canonical SMILES for 3-pyrrol-1-ylsulfonyl-1H-pyridazin-6-one is O=c1ccc(S(=O)(=O)n2cccc2)n[nH]1.
What is the InChIKey of 3-pyrrol-1-ylsulfonyl-1H-pyridazin-6-one?
The InChIKey is TWBJWMKHMNWGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S/c12-7-3-4-8(10-9-7)15(13,14)11-5-1-2-6-11/h1-6H,(H,9,12).
What are the key properties of 3-pyrrol-1-ylsulfonyl-1H-pyridazin-6-one?
3-pyrrol-1-ylsulfonyl-1H-pyridazin-6-one has a molecular weight of 225.23 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-ylsulfonyl-1H-pyridazin-6-one is sourced from PubChem (CID 12071778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).