(4-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate

C23H27FN2O5S — CID 24686097

IUPAC(4-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C23H27FN2O5S/c24-19-6-4-18(5-7-19)17-31-23(27)21-16-20(32(28,29)26-10-2-1-3-11-26)8-9-22(21)25-12-14-30-15-13-25/h4-9,16H,1-3,10-15,17H2
InChIKeyZFOAPODMCDEDHA-UHFFFAOYSA-N
MW462.54 g/mol
LogP3.19
Rot. Bonds6

About (4-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate

(4-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate (PubChem CID 24686097) has the molecular formula C23H27FN2O5S and a molecular weight of 462.54 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
PubChem CID24686097
Molecular FormulaC23H27FN2O5S
Molecular Weight462.54 g/mol
Exact Mass462.16
IUPAC Name(4-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C23H27FN2O5S/c24-19-6-4-18(5-7-19)17-31-23(27)21-16-20(32(28,29)26-10-2-1-3-11-26)8-9-22(21)25-12-14-30-15-13-25/h4-9,16H,1-3,10-15,17H2
InChIKeyZFOAPODMCDEDHA-UHFFFAOYSA-N
XLogP3.19
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of (4-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate (CID 24686097) is (4-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for (4-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate is O=C(OCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1.
What is the InChIKey of (4-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The InChIKey is ZFOAPODMCDEDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O5S/c24-19-6-4-18(5-7-19)17-31-23(27)21-16-20(32(28,29)26-10-2-1-3-11-26)8-9-22(21)25-12-14-30-15-13-25/h4-9,16H,1-3,10-15,17H2.
What are the key properties of (4-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
(4-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate has a molecular weight of 462.54 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 24686097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).