(2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

C18H18FNO6S — CID 8778499

IUPAC(2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccccc1OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H18FNO6S/c1-24-15-4-2-3-5-16(15)26-18(21)13-6-7-14(19)17(12-13)27(22,23)20-8-10-25-11-9-20/h2-7,12H,8-11H2,1H3
InChIKeyCWCHRHYAXNXYGS-UHFFFAOYSA-N
MW395.41 g/mol
LogP2.07
Rot. Bonds5

About (2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

(2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 8778499) has the molecular formula C18H18FNO6S and a molecular weight of 395.41 g/mol. Its IUPAC name is (2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
PubChem CID8778499
Molecular FormulaC18H18FNO6S
Molecular Weight395.41 g/mol
Exact Mass395.08
IUPAC Name(2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccccc1OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H18FNO6S/c1-24-15-4-2-3-5-16(15)26-18(21)13-6-7-14(19)17(12-13)27(22,23)20-8-10-25-11-9-20/h2-7,12H,8-11H2,1H3
InChIKeyCWCHRHYAXNXYGS-UHFFFAOYSA-N
XLogP2.07
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-5-methylphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2673628
(1-oxo-1-phenylpropan-2-yl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16578086
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
(5-acetyl-2-methoxyphenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 4666329
2-(2-chlorophenoxy)ethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2640644
1,3-benzodioxol-5-yl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 3280819
cyanomethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2681686
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16521438
(2-methoxy-5-nitrophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 42983402
N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2302190
(4-acetyl-2-methoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 8868752
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 43031541

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (CID 8778499) is (2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is COc1ccccc1OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is CWCHRHYAXNXYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO6S/c1-24-15-4-2-3-5-16(15)26-18(21)13-6-7-14(19)17(12-13)27(22,23)20-8-10-25-11-9-20/h2-7,12H,8-11H2,1H3.
What are the key properties of (2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
(2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 395.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 8778499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).