(2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate

C19H20FNO5S — CID 2568864

IUPAC(2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1ccccc1F
InChIInChI=1S/C19H20FNO5S/c1-14-6-7-16(27(23,24)21-8-10-25-11-9-21)12-17(14)19(22)26-13-15-4-2-3-5-18(15)20/h2-7,12H,8-11,13H2,1H3
InChIKeyUVVJDCNBKKTUBX-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.51
Rot. Bonds5

About (2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate

(2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2568864) has the molecular formula C19H20FNO5S and a molecular weight of 393.44 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2568864
Molecular FormulaC19H20FNO5S
Molecular Weight393.44 g/mol
Exact Mass393.10
IUPAC Name(2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1ccccc1F
InChIInChI=1S/C19H20FNO5S/c1-14-6-7-16(27(23,24)21-8-10-25-11-9-21)12-17(14)19(22)26-13-15-4-2-3-5-18(15)20/h2-7,12H,8-11,13H2,1H3
InChIKeyUVVJDCNBKKTUBX-UHFFFAOYSA-N
XLogP2.51
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-cyanophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2652352
(4-bromophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2715867
(2-methoxy-2-oxoethyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16568663
(2-fluorophenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 7854708
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2386671
(5-bromothiophen-3-yl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 47035280
[2-(N-methylanilino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2478788
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16528770
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2123086
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 4854301
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 4850277
(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 27014585

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate (CID 2568864) is (2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is UVVJDCNBKKTUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5S/c1-14-6-7-16(27(23,24)21-8-10-25-11-9-21)12-17(14)19(22)26-13-15-4-2-3-5-18(15)20/h2-7,12H,8-11,13H2,1H3.
What are the key properties of (2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
(2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 393.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2568864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).