7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one

C26H24FNO5S — CID 161367741

IUPAC7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one
SMILESO=C1COc2cc(-c3cc(N4CCOCC4)cc(S(=O)(=O)Cc4ccc(F)cc4)c3)ccc2C1
InChIInChI=1S/C26H24FNO5S/c27-22-5-1-18(2-6-22)17-34(30,31)25-13-21(11-23(15-25)28-7-9-32-10-8-28)19-3-4-20-12-24(29)16-33-26(20)14-19/h1-6,11,13-15H,7-10,12,16-17H2
InChIKeyVQAQXGIDHPELLM-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.81
Rot. Bonds5

About 7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one

7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one (PubChem CID 161367741) has the molecular formula C26H24FNO5S and a molecular weight of 481.55 g/mol. Its IUPAC name is 7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one.

Molecular Properties

Compound Name7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one
PubChem CID161367741
Molecular FormulaC26H24FNO5S
Molecular Weight481.55 g/mol
Exact Mass481.14
IUPAC Name7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one
SMILESO=C1COc2cc(-c3cc(N4CCOCC4)cc(S(=O)(=O)Cc4ccc(F)cc4)c3)ccc2C1
InChIInChI=1S/C26H24FNO5S/c27-22-5-1-18(2-6-22)17-34(30,31)25-13-21(11-23(15-25)28-7-9-32-10-8-28)19-3-4-20-12-24(29)16-33-26(20)14-19/h1-6,11,13-15H,7-10,12,16-17H2
InChIKeyVQAQXGIDHPELLM-UHFFFAOYSA-N
XLogP3.81
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-benzylsulfonyl-5-[2-(cyclopropylmethyl)pyrimidin-5-yl]phenyl]morpholine
CID 161293393
5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine
CID 146177523
1-[4-[[3-(2-aminopyrimidin-5-yl)-5-morpholin-4-ylphenyl]sulfonylmethyl]anilino]-2-methylpropan-2-ol
CID 146177462
4-(3-benzylsulfonyl-5-bromophenyl)morpholine;4-[3-bromo-5-[difluoro(phenyl)methyl]sulfonylphenyl]morpholine
CID 160842755
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
(4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide
CID 4742987
3-[4-(4-fluorophenyl)piperazin-1-yl]-4-morpholin-4-ylcyclobut-3-ene-1,2-dione
CID 53368386
N-ethyl-5-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 168898646
N-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide
CID 117077961
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721
2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone
CID 1486407

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one?
The IUPAC name of 7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one (CID 161367741) is 7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one.
What is the SMILES notation for 7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one?
The canonical SMILES for 7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one is O=C1COc2cc(-c3cc(N4CCOCC4)cc(S(=O)(=O)Cc4ccc(F)cc4)c3)ccc2C1.
What is the InChIKey of 7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one?
The InChIKey is VQAQXGIDHPELLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO5S/c27-22-5-1-18(2-6-22)17-34(30,31)25-13-21(11-23(15-25)28-7-9-32-10-8-28)19-3-4-20-12-24(29)16-33-26(20)14-19/h1-6,11,13-15H,7-10,12,16-17H2.
What are the key properties of 7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one?
7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one has a molecular weight of 481.55 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one is sourced from PubChem (CID 161367741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).