1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide

C20H22Cl2N2O3S — CID 26674902

IUPAC1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C20H22Cl2N2O3S/c21-16-6-7-18(22)19(14-16)28(26,27)13-12-24-10-8-15(9-11-24)20(25)23-17-4-2-1-3-5-17/h1-7,14-15H,8-13H2,(H,23,25)
InChIKeyCEMXYAIGOYPWOT-UHFFFAOYSA-N
MW441.38 g/mol
LogP4.12
Rot. Bonds6

About 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide

1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 26674902) has the molecular formula C20H22Cl2N2O3S and a molecular weight of 441.38 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide
PubChem CID26674902
Molecular FormulaC20H22Cl2N2O3S
Molecular Weight441.38 g/mol
Exact Mass440.07
IUPAC Name1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C20H22Cl2N2O3S/c21-16-6-7-18(22)19(14-16)28(26,27)13-12-24-10-8-15(9-11-24)20(25)23-17-4-2-1-3-5-17/h1-7,14-15H,8-13H2,(H,23,25)
InChIKeyCEMXYAIGOYPWOT-UHFFFAOYSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide 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

1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 17486082
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 2990214
1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 99826811
N-(3-acetamidophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26114411
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131366
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493
1-(2,5-dichlorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 46651843
1-(2,5-dichlorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 27228877
1-(2-ethylsulfanylethyl)-N-phenylpiperidine-4-carboxamide
CID 56793227
2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline
CID 8896966

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide (CID 26674902) is 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is CEMXYAIGOYPWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3S/c21-16-6-7-18(22)19(14-16)28(26,27)13-12-24-10-8-15(9-11-24)20(25)23-17-4-2-1-3-5-17/h1-7,14-15H,8-13H2,(H,23,25).
What are the key properties of 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide?
1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 441.38 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 26674902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).