2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone

C21H31Cl2N3O5S — CID 24944730

IUPAC2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
SMILESCOCCN1CCN(C(=O)COCC2CCCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H31Cl2N3O5S/c1-30-13-12-24-8-10-25(11-9-24)21(27)16-31-15-17-4-2-3-7-26(17)32(28,29)18-5-6-19(22)20(23)14-18/h5-6,14,17H,2-4,7-13,15-16H2,1H3
InChIKeyILBBMTNOWMCBTH-UHFFFAOYSA-N
MW508.47 g/mol
LogP2.34
Rot. Bonds9

About 2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone

2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone (PubChem CID 24944730) has the molecular formula C21H31Cl2N3O5S and a molecular weight of 508.47 g/mol. Its IUPAC name is 2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
PubChem CID24944730
Molecular FormulaC21H31Cl2N3O5S
Molecular Weight508.47 g/mol
Exact Mass507.14
IUPAC Name2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
SMILESCOCCN1CCN(C(=O)COCC2CCCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H31Cl2N3O5S/c1-30-13-12-24-8-10-25(11-9-24)21(27)16-31-15-17-4-2-3-7-26(17)32(28,29)18-5-6-19(22)20(23)14-18/h5-6,14,17H,2-4,7-13,15-16H2,1H3
InChIKeyILBBMTNOWMCBTH-UHFFFAOYSA-N
XLogP2.34
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone (CID 24944730) is 2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone is COCCN1CCN(C(=O)COCC2CCCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The InChIKey is ILBBMTNOWMCBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31Cl2N3O5S/c1-30-13-12-24-8-10-25(11-9-24)21(27)16-31-15-17-4-2-3-7-26(17)32(28,29)18-5-6-19(22)20(23)14-18/h5-6,14,17H,2-4,7-13,15-16H2,1H3.
What are the key properties of 2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone has a molecular weight of 508.47 g/mol, XLogP of 2.34, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 24944730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).