(2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide

C20H21ClN2O5S — CID 92887723

IUPAC(2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O5S/c21-14-4-7-16(8-5-14)29(25,26)23-10-2-1-3-17(23)20(24)22-15-6-9-18-19(13-15)28-12-11-27-18/h4-9,13,17H,1-3,10-12H2,(H,22,24)/t17-/m1/s1
InChIKeyNDSVKMAJHDVIGM-QGZVFWFLSA-N
MW436.92 g/mol
LogP3.29
Rot. Bonds4

About (2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide

(2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide (PubChem CID 92887723) has the molecular formula C20H21ClN2O5S and a molecular weight of 436.92 g/mol. Its IUPAC name is (2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
PubChem CID92887723
Molecular FormulaC20H21ClN2O5S
Molecular Weight436.92 g/mol
Exact Mass436.09
IUPAC Name(2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O5S/c21-14-4-7-16(8-5-14)29(25,26)23-10-2-1-3-17(23)20(24)22-15-6-9-18-19(13-15)28-12-11-27-18/h4-9,13,17H,1-3,10-12H2,(H,22,24)/t17-/m1/s1
InChIKeyNDSVKMAJHDVIGM-QGZVFWFLSA-N
XLogP3.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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

2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26562263
(2S)-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8700873
(2S)-1-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide
CID 8018672
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 16826697
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 92887679
(2R)-N-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865501
(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865547
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 8795044
N-(3-acetamidophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide
CID 24619600
(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 25483977
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 24619763
(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 2440835

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide (CID 92887723) is (2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide?
The InChIKey is NDSVKMAJHDVIGM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21ClN2O5S/c21-14-4-7-16(8-5-14)29(25,26)23-10-2-1-3-17(23)20(24)22-15-6-9-18-19(13-15)28-12-11-27-18/h4-9,13,17H,1-3,10-12H2,(H,22,24)/t17-/m1/s1.
What are the key properties of (2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide?
(2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide has a molecular weight of 436.92 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide is sourced from PubChem (CID 92887723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).