2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate

C19H20FNO6S — CID 7699330

IUPAC2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCCOc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20FNO6S/c20-16-4-6-17(7-5-16)26-12-13-27-19(22)15-2-1-3-18(14-15)28(23,24)21-8-10-25-11-9-21/h1-7,14H,8-13H2
InChIKeyMPVSAZNKHVSPFX-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.08
Rot. Bonds7

About 2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate

2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 7699330) has the molecular formula C19H20FNO6S and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate
PubChem CID7699330
Molecular FormulaC19H20FNO6S
Molecular Weight409.44 g/mol
Exact Mass409.10
IUPAC Name2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCCOc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20FNO6S/c20-16-4-6-17(7-5-16)26-12-13-27-19(22)15-2-1-3-18(14-15)28(23,24)21-8-10-25-11-9-21/h1-7,14H,8-13H2
InChIKeyMPVSAZNKHVSPFX-UHFFFAOYSA-N
XLogP2.08
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 2662298
2-(4-ethoxyphenoxy)ethyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 7699653
[2-(3-fluorophenyl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 8666849
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
propyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate
CID 27000036
(4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2634080
phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-morpholin-4-ylsulfonylbenzoate
CID 16521683
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267
(2,6-dichlorophenyl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 3881393
2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate
CID 7970040
2-(3-methylphenoxy)ethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2506192

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of 2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate (CID 7699330) is 2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for 2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for 2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate is O=C(OCCOc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is MPVSAZNKHVSPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO6S/c20-16-4-6-17(7-5-16)26-12-13-27-19(22)15-2-1-3-18(14-15)28(23,24)21-8-10-25-11-9-21/h1-7,14H,8-13H2.
What are the key properties of 2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate?
2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 409.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 7699330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).