phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

C19H18FNO6S — CID 2346722

IUPACphenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccccc1
InChIInChI=1S/C19H18FNO6S/c20-17-7-6-15(28(24,25)21-8-10-26-11-9-21)12-16(17)19(23)27-13-18(22)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKeyRCKGBJBZLNDOMD-UHFFFAOYSA-N
MW407.42 g/mol
LogP1.89
Rot. Bonds6

About phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2346722) has the molecular formula C19H18FNO6S and a molecular weight of 407.42 g/mol. Its IUPAC name is phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Namephenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2346722
Molecular FormulaC19H18FNO6S
Molecular Weight407.42 g/mol
Exact Mass407.08
IUPAC Namephenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccccc1
InChIInChI=1S/C19H18FNO6S/c20-17-7-6-15(28(24,25)21-8-10-26-11-9-21)12-16(17)19(23)27-13-18(22)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKeyRCKGBJBZLNDOMD-UHFFFAOYSA-N
XLogP1.89
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate
CID 7868503
[2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 42986052
[2-(carbamoylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4218282
[2-(ethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530482
(2-cyanophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2652352
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530525
[2-(4-fluorophenyl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2352525
[2-(3-fluorophenyl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 8666849
[2-(4-bromoanilino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346749
(4-methoxycarbonylphenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4263507
(2-phenyl-1,3-thiazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530468

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (CID 2346722) is phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccccc1.
What is the InChIKey of phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is RCKGBJBZLNDOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO6S/c20-17-7-6-15(28(24,25)21-8-10-26-11-9-21)12-16(17)19(23)27-13-18(22)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2.
What are the key properties of phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 407.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2346722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).