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

C26H23NO6S — CID 16527565

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C26H23NO6S/c28-25(21-6-5-20-15-19-3-1-2-4-23(19)24(20)16-21)17-33-26(29)18-7-9-22(10-8-18)34(30,31)27-11-13-32-14-12-27/h1-10,16H,11-15,17H2
InChIKeyYTVOVTYMAOVCBE-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.32
Rot. Bonds6

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

[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 16527565) has the molecular formula C26H23NO6S and a molecular weight of 477.54 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
PubChem CID16527565
Molecular FormulaC26H23NO6S
Molecular Weight477.54 g/mol
Exact Mass477.12
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C26H23NO6S/c28-25(21-6-5-20-15-19-3-1-2-4-23(19)24(20)16-21)17-33-26(29)18-7-9-22(10-8-18)34(30,31)27-11-13-32-14-12-27/h1-10,16H,11-15,17H2
InChIKeyYTVOVTYMAOVCBE-UHFFFAOYSA-N
XLogP3.32
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2462527
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate
CID 7868503
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] pyridine-4-carboxylate
CID 7783940
[2-(4-fluorophenyl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2352525
phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 8631773
[2-(3-fluorophenyl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 8666849
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 7662912
phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346722
[2-oxo-2-(2-phenylethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 55314397
[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 25044862
[2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 4843377

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (CID 16527565) is [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is YTVOVTYMAOVCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO6S/c28-25(21-6-5-20-15-19-3-1-2-4-23(19)24(20)16-21)17-33-26(29)18-7-9-22(10-8-18)34(30,31)27-11-13-32-14-12-27/h1-10,16H,11-15,17H2.
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 477.54 g/mol, XLogP of 3.32, 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-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 16527565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).