[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

C23H23FN2O6S — CID 2438263

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESCCc1cccc2c(C(=O)COC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)c[nH]c12
InChIInChI=1S/C23H23FN2O6S/c1-2-15-4-3-5-17-19(13-25-22(15)17)21(27)14-32-23(28)18-12-16(6-7-20(18)24)33(29,30)26-8-10-31-11-9-26/h3-7,12-13,25H,2,8-11,14H2,1H3
InChIKeyPJMVOUQDKAZGLG-UHFFFAOYSA-N
MW474.51 g/mol
LogP2.93
Rot. Bonds7

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2438263) has the molecular formula C23H23FN2O6S and a molecular weight of 474.51 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2438263
Molecular FormulaC23H23FN2O6S
Molecular Weight474.51 g/mol
Exact Mass474.13
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESCCc1cccc2c(C(=O)COC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)c[nH]c12
InChIInChI=1S/C23H23FN2O6S/c1-2-15-4-3-5-17-19(13-25-22(15)17)21(27)14-32-23(28)18-12-16(6-7-20(18)24)33(29,30)26-8-10-31-11-9-26/h3-7,12-13,25H,2,8-11,14H2,1H3
InChIKeyPJMVOUQDKAZGLG-UHFFFAOYSA-N
XLogP2.93
TPSA105.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (CID 2438263) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is CCc1cccc2c(C(=O)COC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is PJMVOUQDKAZGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O6S/c1-2-15-4-3-5-17-19(13-25-22(15)17)21(27)14-32-23(28)18-12-16(6-7-20(18)24)33(29,30)26-8-10-31-11-9-26/h3-7,12-13,25H,2,8-11,14H2,1H3.
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 474.51 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2438263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).