1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C18H19Cl2N3O3S — CID 2991292

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C18H19Cl2N3O3S/c19-14-6-7-16(20)17(10-14)27(25,26)23-9-3-4-13(12-23)18(24)22-11-15-5-1-2-8-21-15/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,22,24)
InChIKeyYKJBVDQKONRLBB-UHFFFAOYSA-N
MW428.34 g/mol
LogP3.11
Rot. Bonds5

About 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 2991292) has the molecular formula C18H19Cl2N3O3S and a molecular weight of 428.34 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID2991292
Molecular FormulaC18H19Cl2N3O3S
Molecular Weight428.34 g/mol
Exact Mass427.05
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C18H19Cl2N3O3S/c19-14-6-7-16(20)17(10-14)27(25,26)23-9-3-4-13(12-23)18(24)22-11-15-5-1-2-8-21-15/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,22,24)
InChIKeyYKJBVDQKONRLBB-UHFFFAOYSA-N
XLogP3.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide 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 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 2991292) is 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is YKJBVDQKONRLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3S/c19-14-6-7-16(20)17(10-14)27(25,26)23-9-3-4-13(12-23)18(24)22-11-15-5-1-2-8-21-15/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,22,24).
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 428.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 2991292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).