N-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide

C22H24ClN3O4S — CID 5307108

IUPACN-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESO=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4Cl)CC3)ccc2N1
InChIInChI=1S/C22H24ClN3O4S/c23-19-4-2-1-3-17(19)14-24-22(28)15-9-11-26(12-10-15)31(29,30)18-6-7-20-16(13-18)5-8-21(27)25-20/h1-4,6-7,13,15H,5,8-12,14H2,(H,24,28)(H,25,27)
InChIKeyFZELRQZEYADVBE-UHFFFAOYSA-N
MW461.97 g/mol
LogP2.94
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 5307108) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID5307108
Molecular FormulaC22H24ClN3O4S
Molecular Weight461.97 g/mol
Exact Mass461.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESO=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4Cl)CC3)ccc2N1
InChIInChI=1S/C22H24ClN3O4S/c23-19-4-2-1-3-17(19)14-24-22(28)15-9-11-26(12-10-15)31(29,30)18-6-7-20-16(13-18)5-8-21(27)25-20/h1-4,6-7,13,15H,5,8-12,14H2,(H,24,28)(H,25,27)
InChIKeyFZELRQZEYADVBE-UHFFFAOYSA-N
XLogP2.94
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide (CID 5307108) is N-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide is O=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4Cl)CC3)ccc2N1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is FZELRQZEYADVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c23-19-4-2-1-3-17(19)14-24-22(28)15-9-11-26(12-10-15)31(29,30)18-6-7-20-16(13-18)5-8-21(27)25-20/h1-4,6-7,13,15H,5,8-12,14H2,(H,24,28)(H,25,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 461.97 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 5307108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).