(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide

C19H21ClN2O4S — CID 2648526

IUPAC(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C19H21ClN2O4S/c1-26-18-11-10-14(13-16(18)20)21-19(23)17-9-5-6-12-22(17)27(24,25)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,17H,5-6,9,12H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyXBTMYDSSOAIBAE-QGZVFWFLSA-N
MW408.91 g/mol
LogP3.53
Rot. Bonds5

About (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide

(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide (PubChem CID 2648526) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide
PubChem CID2648526
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C19H21ClN2O4S/c1-26-18-11-10-14(13-16(18)20)21-19(23)17-9-5-6-12-22(17)27(24,25)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,17H,5-6,9,12H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyXBTMYDSSOAIBAE-QGZVFWFLSA-N
XLogP3.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 46482849
1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 46586257
(2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide
CID 29447944
(2S)-1,4-bis(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperazine-2-carboxamide
CID 126189925
1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 55584183
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 42065157
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)piperidine-2-carboxamide
CID 4312654
(2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide
CID 2526254
(3R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-3-carboxamide
CID 38708605
tert-butyl N-[5-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-2-methoxyphenyl]carbamate
CID 55654774
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 40830483

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide (CID 2648526) is (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide is COc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide?
The InChIKey is XBTMYDSSOAIBAE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-26-18-11-10-14(13-16(18)20)21-19(23)17-9-5-6-12-22(17)27(24,25)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,17H,5-6,9,12H2,1H3,(H,21,23)/t17-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide?
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide has a molecular weight of 408.91 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 2648526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).