2-(methylsulfonimidoyl)xanthen-9-one

C14H11NO3S — CID 129396383

IUPAC2-(methylsulfonimidoyl)xanthen-9-one
SMILES[H]N=[S@](C)(=O)c1ccc2oc3ccccc3c(=O)c2c1
InChIInChI=1S/C14H11NO3S/c1-19(15,17)9-6-7-13-11(8-9)14(16)10-4-2-3-5-12(10)18-13/h2-8,15H,1H3/t19-/m1/s1
InChIKeyBPEMICFEFKVCEE-LJQANCHMSA-N
MW273.31 g/mol
LogP2.98
Rot. Bonds1

About 2-(methylsulfonimidoyl)xanthen-9-one

2-(methylsulfonimidoyl)xanthen-9-one (PubChem CID 129396383) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(methylsulfonimidoyl)xanthen-9-one.

Molecular Properties

Compound Name2-(methylsulfonimidoyl)xanthen-9-one
PubChem CID129396383
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name2-(methylsulfonimidoyl)xanthen-9-one
SMILES[H]N=[S@](C)(=O)c1ccc2oc3ccccc3c(=O)c2c1
InChIInChI=1S/C14H11NO3S/c1-19(15,17)9-6-7-13-11(8-9)14(16)10-4-2-3-5-12(10)18-13/h2-8,15H,1H3/t19-/m1/s1
InChIKeyBPEMICFEFKVCEE-LJQANCHMSA-N
XLogP2.98
TPSA71.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonimidoyl)xanthen-9-one?
The IUPAC name of 2-(methylsulfonimidoyl)xanthen-9-one (CID 129396383) is 2-(methylsulfonimidoyl)xanthen-9-one.
What is the SMILES notation for 2-(methylsulfonimidoyl)xanthen-9-one?
The canonical SMILES for 2-(methylsulfonimidoyl)xanthen-9-one is [H]N=[S@](C)(=O)c1ccc2oc3ccccc3c(=O)c2c1.
What is the InChIKey of 2-(methylsulfonimidoyl)xanthen-9-one?
The InChIKey is BPEMICFEFKVCEE-LJQANCHMSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-19(15,17)9-6-7-13-11(8-9)14(16)10-4-2-3-5-12(10)18-13/h2-8,15H,1H3/t19-/m1/s1.
What are the key properties of 2-(methylsulfonimidoyl)xanthen-9-one?
2-(methylsulfonimidoyl)xanthen-9-one has a molecular weight of 273.31 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonimidoyl)xanthen-9-one is sourced from PubChem (CID 129396383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).