6-(2-oxochromen-6-yl)sulfonylchromen-2-one

C18H10O6S — CID 15353044

IUPAC6-(2-oxochromen-6-yl)sulfonylchromen-2-one
SMILESO=c1ccc2cc(S(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc2o1
InChIInChI=1S/C18H10O6S/c19-17-7-1-11-9-13(3-5-15(11)23-17)25(21,22)14-4-6-16-12(10-14)2-8-18(20)24-16/h1-10H
InChIKeyBHBQYOODOSIMQD-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.73
Rot. Bonds2

About 6-(2-oxochromen-6-yl)sulfonylchromen-2-one

6-(2-oxochromen-6-yl)sulfonylchromen-2-one (PubChem CID 15353044) has the molecular formula C18H10O6S and a molecular weight of 354.34 g/mol. Its IUPAC name is 6-(2-oxochromen-6-yl)sulfonylchromen-2-one.

Molecular Properties

Compound Name6-(2-oxochromen-6-yl)sulfonylchromen-2-one
PubChem CID15353044
Molecular FormulaC18H10O6S
Molecular Weight354.34 g/mol
Exact Mass354.02
IUPAC Name6-(2-oxochromen-6-yl)sulfonylchromen-2-one
SMILESO=c1ccc2cc(S(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc2o1
InChIInChI=1S/C18H10O6S/c19-17-7-1-11-9-13(3-5-15(11)23-17)25(21,22)14-4-6-16-12(10-14)2-8-18(20)24-16/h1-10H
InChIKeyBHBQYOODOSIMQD-UHFFFAOYSA-N
XLogP2.73
TPSA94.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
N-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide
CID 54879507
(4-tert-butylphenyl) 2-oxochromene-6-sulfonate
CID 55559003
6-methylchromen-2-one;sulfuryl dichloride
CID 174587429
6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one
CID 43556312
N-(azetidin-3-yl)-N-methyl-2-oxochromene-6-sulfonamide
CID 66186859
6-chlorochromen-2-one
CID 16321
N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide
CID 30713094
(3-methylphenyl) 2-oxochromene-6-sulfonate
CID 13042915
N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 119973429
2-oxo-N-piperidin-4-ylchromene-6-sulfonamide
CID 43603317

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxochromen-6-yl)sulfonylchromen-2-one?
The IUPAC name of 6-(2-oxochromen-6-yl)sulfonylchromen-2-one (CID 15353044) is 6-(2-oxochromen-6-yl)sulfonylchromen-2-one.
What is the SMILES notation for 6-(2-oxochromen-6-yl)sulfonylchromen-2-one?
The canonical SMILES for 6-(2-oxochromen-6-yl)sulfonylchromen-2-one is O=c1ccc2cc(S(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc2o1.
What is the InChIKey of 6-(2-oxochromen-6-yl)sulfonylchromen-2-one?
The InChIKey is BHBQYOODOSIMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O6S/c19-17-7-1-11-9-13(3-5-15(11)23-17)25(21,22)14-4-6-16-12(10-14)2-8-18(20)24-16/h1-10H.
What are the key properties of 6-(2-oxochromen-6-yl)sulfonylchromen-2-one?
6-(2-oxochromen-6-yl)sulfonylchromen-2-one has a molecular weight of 354.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxochromen-6-yl)sulfonylchromen-2-one is sourced from PubChem (CID 15353044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).