(3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide

C20H22Cl2N2O3S — CID 126397995

IUPAC(3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C20H22Cl2N2O3S/c1-23(13-15-6-3-2-4-7-15)20(25)16-8-5-11-24(14-16)28(26,27)19-12-17(21)9-10-18(19)22/h2-4,6-7,9-10,12,16H,5,8,11,13-14H2,1H3/t16-/m0/s1
InChIKeyWSMWLQYLINZZSB-INIZCTEOSA-N
MW441.38 g/mol
LogP4.05
Rot. Bonds5

About (3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide

(3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide (PubChem CID 126397995) has the molecular formula C20H22Cl2N2O3S and a molecular weight of 441.38 g/mol. Its IUPAC name is (3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
PubChem CID126397995
Molecular FormulaC20H22Cl2N2O3S
Molecular Weight441.38 g/mol
Exact Mass440.07
IUPAC Name(3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C20H22Cl2N2O3S/c1-23(13-15-6-3-2-4-7-15)20(25)16-8-5-11-24(14-16)28(26,27)19-12-17(21)9-10-18(19)22/h2-4,6-7,9-10,12,16H,5,8,11,13-14H2,1H3/t16-/m0/s1
InChIKeyWSMWLQYLINZZSB-INIZCTEOSA-N
XLogP4.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-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

Related Compounds

1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 2971952
N-benzyl-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5110733
(3S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 125049667
(3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 41302820
(3R)-N-[(4-chlorophenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92683172
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 55407096
N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490719
(3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-benzyl-N-methylpiperidine-3-carboxamide
CID 40947318
ethyl (3R)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylate
CID 1273285
1-(2,5-dichlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 133159708
(3R)-N-tert-butyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396308
(3R)-N,N-dibenzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780190

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide (CID 126397995) is (3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide is CN(Cc1ccccc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of (3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The InChIKey is WSMWLQYLINZZSB-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3S/c1-23(13-15-6-3-2-4-7-15)20(25)16-8-5-11-24(14-16)28(26,27)19-12-17(21)9-10-18(19)22/h2-4,6-7,9-10,12,16H,5,8,11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
(3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide has a molecular weight of 441.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 126397995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).