[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

C26H22FNO6S — CID 2462527

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C26H22FNO6S/c27-23-8-7-20(15-25(23)35(31,32)28-9-11-33-12-10-28)26(30)34-16-24(29)19-6-5-18-13-17-3-1-2-4-21(17)22(18)14-19/h1-8,14-15H,9-13,16H2
InChIKeyBBGNXFVJBNXAHS-UHFFFAOYSA-N
MW495.53 g/mol
LogP3.46
Rot. Bonds6

About [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 2462527) has the molecular formula C26H22FNO6S and a molecular weight of 495.53 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
PubChem CID2462527
Molecular FormulaC26H22FNO6S
Molecular Weight495.53 g/mol
Exact Mass495.12
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C26H22FNO6S/c27-23-8-7-20(15-25(23)35(31,32)28-9-11-33-12-10-28)26(30)34-16-24(29)19-6-5-18-13-17-3-1-2-4-21(17)22(18)14-19/h1-8,14-15H,9-13,16H2
InChIKeyBBGNXFVJBNXAHS-UHFFFAOYSA-N
XLogP3.46
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527565
[2-(4-tert-butylphenyl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16521348
(2-oxo-2-thiophen-2-ylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 7970340
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2102172
(2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 55313339
[2-(4-cyclohexylphenyl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 3667675
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 3671172
cyanomethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2681686
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16521432
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 24686344
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 4302428
2-(2-chlorophenoxy)ethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2640644

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (CID 2462527) is [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is BBGNXFVJBNXAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FNO6S/c27-23-8-7-20(15-25(23)35(31,32)28-9-11-33-12-10-28)26(30)34-16-24(29)19-6-5-18-13-17-3-1-2-4-21(17)22(18)14-19/h1-8,14-15H,9-13,16H2.
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 495.53 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2462527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).