(3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide

C20H23ClN2O3S — CID 1081660

IUPAC(3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClN2O3S/c1-2-15-6-3-4-8-19(15)22-20(24)16-7-5-13-23(14-16)27(25,26)18-11-9-17(21)10-12-18/h3-4,6,8-12,16H,2,5,7,13-14H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyAQQCQIVUNGUQNE-MRXNPFEDSA-N
MW406.94 g/mol
LogP3.94
Rot. Bonds5

About (3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide

(3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide (PubChem CID 1081660) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
PubChem CID1081660
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name(3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClN2O3S/c1-2-15-6-3-4-8-19(15)22-20(24)16-7-5-13-23(14-16)27(25,26)18-11-9-17(21)10-12-18/h3-4,6,8-12,16H,2,5,7,13-14H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyAQQCQIVUNGUQNE-MRXNPFEDSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 1456841
1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 24624366
N-(2-acetylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 42936626
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 3902982
ethyl 2-[[(3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 38074517
ethyl 2-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 38074512
(3R)-N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1081678
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 84834429
(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 100674955
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
CID 43042431

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide (CID 1081660) is (3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide is CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide?
The InChIKey is AQQCQIVUNGUQNE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-2-15-6-3-4-8-19(15)22-20(24)16-7-5-13-23(14-16)27(25,26)18-11-9-17(21)10-12-18/h3-4,6,8-12,16H,2,5,7,13-14H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide?
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide has a molecular weight of 406.94 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 1081660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).