(2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide

C20H23ClN2O5S — CID 29447944

IUPAC(2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C20H23ClN2O5S/c1-27-18-13-19(28-2)16(12-15(18)21)22-20(24)17-10-6-7-11-23(17)29(25,26)14-8-4-3-5-9-14/h3-5,8-9,12-13,17H,6-7,10-11H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyLVNBBIZPWNQNLQ-KRWDZBQOSA-N
MW438.93 g/mol
LogP3.54
Rot. Bonds6

About (2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide

(2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide (PubChem CID 29447944) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide
PubChem CID29447944
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC Name(2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C20H23ClN2O5S/c1-27-18-13-19(28-2)16(12-15(18)21)22-20(24)17-10-6-7-11-23(17)29(25,26)14-8-4-3-5-9-14/h3-5,8-9,12-13,17H,6-7,10-11H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyLVNBBIZPWNQNLQ-KRWDZBQOSA-N
XLogP3.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-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

(2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide
CID 2526254
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide
CID 2648526
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 46482849
1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 46586257
tert-butyl N-[5-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-2-methoxyphenyl]carbamate
CID 55654774
1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 55584183
(2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
CID 8714416
N-(4-acetamido-2-chlorophenyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 56580125
(2S)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1468418
(2R)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1468417
1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)piperidine-2-carboxamide
CID 4312654
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide (CID 29447944) is (2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide is COc1cc(OC)c(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of (2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide?
The InChIKey is LVNBBIZPWNQNLQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-27-18-13-19(28-2)16(12-15(18)21)22-20(24)17-10-6-7-11-23(17)29(25,26)14-8-4-3-5-9-14/h3-5,8-9,12-13,17H,6-7,10-11H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide?
(2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide has a molecular weight of 438.93 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 29447944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).