2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone

C24H28BrClN2O5S — CID 124978788

IUPAC2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
SMILESO=C(C[C@]1(COc2cccc(Cl)c2)CN(S(=O)(=O)c2ccc(Br)cc2)CCO1)N1CCCCC1
InChIInChI=1S/C24H28BrClN2O5S/c25-19-7-9-22(10-8-19)34(30,31)28-13-14-33-24(17-28,16-23(29)27-11-2-1-3-12-27)18-32-21-6-4-5-20(26)15-21/h4-10,15H,1-3,11-14,16-18H2/t24-/m1/s1
InChIKeyLWISHBKOOWHBLU-XMMPIXPASA-N
MW571.92 g/mol
LogP4.34
Rot. Bonds7

About 2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone

2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone (PubChem CID 124978788) has the molecular formula C24H28BrClN2O5S and a molecular weight of 571.92 g/mol. Its IUPAC name is 2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
PubChem CID124978788
Molecular FormulaC24H28BrClN2O5S
Molecular Weight571.92 g/mol
Exact Mass570.06
IUPAC Name2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
SMILESO=C(C[C@]1(COc2cccc(Cl)c2)CN(S(=O)(=O)c2ccc(Br)cc2)CCO1)N1CCCCC1
InChIInChI=1S/C24H28BrClN2O5S/c25-19-7-9-22(10-8-19)34(30,31)28-13-14-33-24(17-28,16-23(29)27-11-2-1-3-12-27)18-32-21-6-4-5-20(26)15-21/h4-10,15H,1-3,11-14,16-18H2/t24-/m1/s1
InChIKeyLWISHBKOOWHBLU-XMMPIXPASA-N
XLogP4.34
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.92
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

2-[2-[(3-chlorophenoxy)methyl]-4-(2-methylphenyl)sulfonylmorpholin-2-yl]-1-piperidin-1-ylethanone
CID 110081366
2-(2-bromophenyl)-1-[2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]ethanone
CID 110081335
2-[4-(2-bromobenzoyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 110081338
2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 110081344
1-[2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]pentan-1-one
CID 110081354
1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 124975511
2-[(2S)-4-(4-tert-butylbenzoyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 125008068
2-[(2R)-4-(4-tert-butylbenzoyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 125008067
(2S)-1-[(2S)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-phenylbutan-1-one
CID 124974237
2-[2-[(3-chlorophenoxy)methyl]-4-[5-(2-fluorophenyl)furan-2-carbonyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 110081359
2-[(2R)-4-(3-chlorobenzoyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 124957656
2-[2-[(3-chlorophenoxy)methyl]-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132773124

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone (CID 124978788) is 2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone is O=C(C[C@]1(COc2cccc(Cl)c2)CN(S(=O)(=O)c2ccc(Br)cc2)CCO1)N1CCCCC1.
What is the InChIKey of 2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone?
The InChIKey is LWISHBKOOWHBLU-XMMPIXPASA-N. The full InChI is InChI=1S/C24H28BrClN2O5S/c25-19-7-9-22(10-8-19)34(30,31)28-13-14-33-24(17-28,16-23(29)27-11-2-1-3-12-27)18-32-21-6-4-5-20(26)15-21/h4-10,15H,1-3,11-14,16-18H2/t24-/m1/s1.
What are the key properties of 2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone?
2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 571.92 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(4-bromophenyl)sulfonyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 124978788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).