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

C23H27ClN2O5S — CID 24818082

IUPAC(3-chlorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C23H27ClN2O5S/c24-19-6-4-5-18(15-19)17-31-23(27)21-16-20(32(28,29)26-9-2-1-3-10-26)7-8-22(21)25-11-13-30-14-12-25/h4-8,15-16H,1-3,9-14,17H2
InChIKeyGSQDMDBIOFOYCV-UHFFFAOYSA-N
MW479.00 g/mol
LogP3.71
Rot. Bonds6

About (3-chlorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate

(3-chlorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate (PubChem CID 24818082) has the molecular formula C23H27ClN2O5S and a molecular weight of 479.00 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
PubChem CID24818082
Molecular FormulaC23H27ClN2O5S
Molecular Weight479.00 g/mol
Exact Mass478.13
IUPAC Name(3-chlorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C23H27ClN2O5S/c24-19-6-4-5-18(15-19)17-31-23(27)21-16-20(32(28,29)26-9-2-1-3-10-26)7-8-22(21)25-11-13-30-14-12-25/h4-8,15-16H,1-3,9-14,17H2
InChIKeyGSQDMDBIOFOYCV-UHFFFAOYSA-N
XLogP3.71
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 16543799
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CID 16543802
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CID 24980872
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CID 25344859
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CID 1009836
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CID 44442834
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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of (3-chlorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate (CID 24818082) is (3-chlorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (3-chlorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for (3-chlorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate is O=C(OCc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1.
What is the InChIKey of (3-chlorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The InChIKey is GSQDMDBIOFOYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O5S/c24-19-6-4-5-18(15-19)17-31-23(27)21-16-20(32(28,29)26-9-2-1-3-10-26)7-8-22(21)25-11-13-30-14-12-25/h4-8,15-16H,1-3,9-14,17H2.
What are the key properties of (3-chlorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
(3-chlorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate has a molecular weight of 479.00 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 24818082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).