3-(benzenesulfonyl)-1H-pyridazin-6-one

C10H8N2O3S — CID 11701437

IUPAC3-(benzenesulfonyl)-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C10H8N2O3S/c13-9-6-7-10(12-11-9)16(14,15)8-4-2-1-3-5-8/h1-7H,(H,11,13)
InChIKeyZICCKDUVBPQRQT-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.60
Rot. Bonds2

About 3-(benzenesulfonyl)-1H-pyridazin-6-one

3-(benzenesulfonyl)-1H-pyridazin-6-one (PubChem CID 11701437) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1H-pyridazin-6-one
PubChem CID11701437
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name3-(benzenesulfonyl)-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C10H8N2O3S/c13-9-6-7-10(12-11-9)16(14,15)8-4-2-1-3-5-8/h1-7H,(H,11,13)
InChIKeyZICCKDUVBPQRQT-UHFFFAOYSA-N
XLogP0.60
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Trifluoromethyl-benzenesulfonyl)-2H-pyridazin-3-one
CID 9814948
Phenyl-Substituted Sulfonylpyridazinone, 8s
CID 9835612
Phenyl-Substituted Sulfonylpyridazinone, 8v
CID 9836072
Phenyl-Substituted Sulfonylpyridazinone, 8g
CID 9856396
6-[(4-Chlorophenyl)sulfonyl]-3-pyridazinol
CID 9878572
Phenyl-Substituted Sulfonylpyridazinone, 8r
CID 9878604
Phenyl-Substituted Sulfonylpyridazinone, 8q
CID 9878605
Phenyl-Substituted Sulfonylpyridazinone, 8a
CID 9901432
Phenyl-Substituted Sulfonylpyridazinone, 8c
CID 9921581
6-(2-Fluoro-benzenesulfonyl)-2H-pyridazin-3-one
CID 9943009
6-(3-Chloro-benzenesulfonyl)-2H-pyridazin-3-one
CID 9943365
6-(4-Bromo-2-fluoro-benzenesulfonyl)-2H-pyridazin-3-one
CID 9967430

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(benzenesulfonyl)-1H-pyridazin-6-one (CID 11701437) is 3-(benzenesulfonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(benzenesulfonyl)-1H-pyridazin-6-one is O=c1ccc(S(=O)(=O)c2ccccc2)n[nH]1.
What is the InChIKey of 3-(benzenesulfonyl)-1H-pyridazin-6-one?
The InChIKey is ZICCKDUVBPQRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c13-9-6-7-10(12-11-9)16(14,15)8-4-2-1-3-5-8/h1-7H,(H,11,13).
What are the key properties of 3-(benzenesulfonyl)-1H-pyridazin-6-one?
3-(benzenesulfonyl)-1H-pyridazin-6-one has a molecular weight of 236.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 11701437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).