2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone

C24H28Cl2N2O5S — CID 155990447

IUPAC2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1(COc2ccccc2)CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1)N1CCOCC1
InChIInChI=1S/C24H28Cl2N2O5S/c25-19-7-8-21(26)22(15-19)34(30,31)28-10-4-9-24(17-28,18-33-20-5-2-1-3-6-20)16-23(29)27-11-13-32-14-12-27/h1-3,5-8,15H,4,9-14,16-18H2
InChIKeyQOZVXADOERZXTO-UHFFFAOYSA-N
MW527.47 g/mol
LogP4.09
Rot. Bonds7

About 2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone

2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone (PubChem CID 155990447) has the molecular formula C24H28Cl2N2O5S and a molecular weight of 527.47 g/mol. Its IUPAC name is 2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone
PubChem CID155990447
Molecular FormulaC24H28Cl2N2O5S
Molecular Weight527.47 g/mol
Exact Mass526.11
IUPAC Name2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1(COc2ccccc2)CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1)N1CCOCC1
InChIInChI=1S/C24H28Cl2N2O5S/c25-19-7-8-21(26)22(15-19)34(30,31)28-10-4-9-24(17-28,18-33-20-5-2-1-3-6-20)16-23(29)27-11-13-32-14-12-27/h1-3,5-8,15H,4,9-14,16-18H2
InChIKeyQOZVXADOERZXTO-UHFFFAOYSA-N
XLogP4.09
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.47
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]-1-morpholin-4-ylethanone
CID 110080774
2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-1-piperidin-1-ylethanone
CID 110080913
2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-(2,3-dichlorophenyl)sulfonylpiperidin-3-yl]-1-piperidin-1-ylethanone
CID 125022550
2-[(3R)-3-[(4-chlorophenoxy)methyl]-1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 124991481
2-[(3S)-1-(5-chloro-2,4-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-piperidin-1-ylethanone
CID 124965702
2-[(3R)-1-(2,4-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-piperidin-1-ylethanone
CID 125022566
2-[1-(3-chlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110081704
N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]-N-methylacetamide
CID 124965551
2-[(3R)-1-benzoyl-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124946304
2-[(3S)-1-(2-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124978735
2-[(3S)-1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 124974359
2-[1-(2-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110081524

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone (CID 155990447) is 2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone is O=C(CC1(COc2ccccc2)CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1)N1CCOCC1.
What is the InChIKey of 2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone?
The InChIKey is QOZVXADOERZXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O5S/c25-19-7-8-21(26)22(15-19)34(30,31)28-10-4-9-24(17-28,18-33-20-5-2-1-3-6-20)16-23(29)27-11-13-32-14-12-27/h1-3,5-8,15H,4,9-14,16-18H2.
What are the key properties of 2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone?
2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone has a molecular weight of 527.47 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dichlorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 155990447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).