6-morpholin-4-ylsulfonylchromen-2-one

C13H13NO5S — CID 934723

IUPAC6-morpholin-4-ylsulfonylchromen-2-one
SMILESO=c1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2o1
InChIInChI=1S/C13H13NO5S/c15-13-4-1-10-9-11(2-3-12(10)19-13)20(16,17)14-5-7-18-8-6-14/h1-4,9H,5-8H2
InChIKeyXGHIAGQGHAGULM-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.81
Rot. Bonds2

About 6-morpholin-4-ylsulfonylchromen-2-one

6-morpholin-4-ylsulfonylchromen-2-one (PubChem CID 934723) has the molecular formula C13H13NO5S and a molecular weight of 295.32 g/mol. Its IUPAC name is 6-morpholin-4-ylsulfonylchromen-2-one.

Molecular Properties

Compound Name6-morpholin-4-ylsulfonylchromen-2-one
PubChem CID934723
Molecular FormulaC13H13NO5S
Molecular Weight295.32 g/mol
Exact Mass295.05
IUPAC Name6-morpholin-4-ylsulfonylchromen-2-one
SMILESO=c1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2o1
InChIInChI=1S/C13H13NO5S/c15-13-4-1-10-9-11(2-3-12(10)19-13)20(16,17)14-5-7-18-8-6-14/h1-4,9H,5-8H2
InChIKeyXGHIAGQGHAGULM-UHFFFAOYSA-N
XLogP0.81
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylsulfonylchromen-2-one?
The IUPAC name of 6-morpholin-4-ylsulfonylchromen-2-one (CID 934723) is 6-morpholin-4-ylsulfonylchromen-2-one.
What is the SMILES notation for 6-morpholin-4-ylsulfonylchromen-2-one?
The canonical SMILES for 6-morpholin-4-ylsulfonylchromen-2-one is O=c1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2o1.
What is the InChIKey of 6-morpholin-4-ylsulfonylchromen-2-one?
The InChIKey is XGHIAGQGHAGULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S/c15-13-4-1-10-9-11(2-3-12(10)19-13)20(16,17)14-5-7-18-8-6-14/h1-4,9H,5-8H2.
What are the key properties of 6-morpholin-4-ylsulfonylchromen-2-one?
6-morpholin-4-ylsulfonylchromen-2-one has a molecular weight of 295.32 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylsulfonylchromen-2-one is sourced from PubChem (CID 934723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).