N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide

C21H25Cl3N2O2S — CID 58957061

IUPACN-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H25Cl3N2O2S/c1-2-29(27,28)25-12-11-15-3-10-21(19-9-6-17(23)13-20(19)24)26(14-15)18-7-4-16(22)5-8-18/h4-9,13,15,21,25H,2-3,10-12,14H2,1H3/t15-,21-/m0/s1
InChIKeyKGUBCHSGOBZBAK-BTYIYWSLSA-N
MW475.87 g/mol
LogP5.93
Rot. Bonds7

About N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide

N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide (PubChem CID 58957061) has the molecular formula C21H25Cl3N2O2S and a molecular weight of 475.87 g/mol. Its IUPAC name is N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide
PubChem CID58957061
Molecular FormulaC21H25Cl3N2O2S
Molecular Weight475.87 g/mol
Exact Mass474.07
IUPAC NameN-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H25Cl3N2O2S/c1-2-29(27,28)25-12-11-15-3-10-21(19-9-6-17(23)13-20(19)24)26(14-15)18-7-4-16(22)5-8-18/h4-9,13,15,21,25H,2-3,10-12,14H2,1H3/t15-,21-/m0/s1
InChIKeyKGUBCHSGOBZBAK-BTYIYWSLSA-N
XLogP5.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.87
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide 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 N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide (CID 58957061) is N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide?
The InChIKey is KGUBCHSGOBZBAK-BTYIYWSLSA-N. The full InChI is InChI=1S/C21H25Cl3N2O2S/c1-2-29(27,28)25-12-11-15-3-10-21(19-9-6-17(23)13-20(19)24)26(14-15)18-7-4-16(22)5-8-18/h4-9,13,15,21,25H,2-3,10-12,14H2,1H3/t15-,21-/m0/s1.
What are the key properties of N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide?
N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide has a molecular weight of 475.87 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 58957061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).