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

C23H27FN2O5S — CID 2538562

IUPAC(2-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1ccccc1F)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C23H27FN2O5S/c24-21-7-3-2-6-18(21)17-31-23(27)20-16-19(32(28,29)26-10-4-1-5-11-26)8-9-22(20)25-12-14-30-15-13-25/h2-3,6-9,16H,1,4-5,10-15,17H2
InChIKeyTYHLPXFHFCEODY-UHFFFAOYSA-N
MW462.54 g/mol
LogP3.19
Rot. Bonds6

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

(2-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate (PubChem CID 2538562) has the molecular formula C23H27FN2O5S and a molecular weight of 462.54 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
PubChem CID2538562
Molecular FormulaC23H27FN2O5S
Molecular Weight462.54 g/mol
Exact Mass462.16
IUPAC Name(2-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1ccccc1F)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C23H27FN2O5S/c24-21-7-3-2-6-18(21)17-31-23(27)20-16-19(32(28,29)26-10-4-1-5-11-26)8-9-22(20)25-12-14-30-15-13-25/h2-3,6-9,16H,1,4-5,10-15,17H2
InChIKeyTYHLPXFHFCEODY-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 (2-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of (2-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate (CID 2538562) is (2-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for (2-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate is O=C(OCc1ccccc1F)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1.
What is the InChIKey of (2-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The InChIKey is TYHLPXFHFCEODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O5S/c24-21-7-3-2-6-18(21)17-31-23(27)20-16-19(32(28,29)26-10-4-1-5-11-26)8-9-22(20)25-12-14-30-15-13-25/h2-3,6-9,16H,1,4-5,10-15,17H2.
What are the key properties of (2-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
(2-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 (2-fluorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 2538562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).