2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride

C13H12FNO5S — CID 175524833

IUPAC2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride
SMILESO=c1cc(N2CCOCC2)oc2ccc(S(=O)(=O)F)cc12
InChIInChI=1S/C13H12FNO5S/c14-21(17,18)9-1-2-12-10(7-9)11(16)8-13(20-12)15-3-5-19-6-4-15/h1-2,7-8H,3-6H2
InChIKeyPCCFNEMXOWGNOD-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.29
Rot. Bonds2

About 2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride

2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride (PubChem CID 175524833) has the molecular formula C13H12FNO5S and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride.

Molecular Properties

Compound Name2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride
PubChem CID175524833
Molecular FormulaC13H12FNO5S
Molecular Weight313.31 g/mol
Exact Mass313.04
IUPAC Name2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride
SMILESO=c1cc(N2CCOCC2)oc2ccc(S(=O)(=O)F)cc12
InChIInChI=1S/C13H12FNO5S/c14-21(17,18)9-1-2-12-10(7-9)11(16)8-13(20-12)15-3-5-19-6-4-15/h1-2,7-8H,3-6H2
InChIKeyPCCFNEMXOWGNOD-UHFFFAOYSA-N
XLogP1.29
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride?
The IUPAC name of 2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride (CID 175524833) is 2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride.
What is the SMILES notation for 2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride?
The canonical SMILES for 2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride is O=c1cc(N2CCOCC2)oc2ccc(S(=O)(=O)F)cc12.
What is the InChIKey of 2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride?
The InChIKey is PCCFNEMXOWGNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5S/c14-21(17,18)9-1-2-12-10(7-9)11(16)8-13(20-12)15-3-5-19-6-4-15/h1-2,7-8H,3-6H2.
What are the key properties of 2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride?
2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride has a molecular weight of 313.31 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-oxochromene-6-sulfonyl fluoride is sourced from PubChem (CID 175524833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).