N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide

C21H25ClN2O3S — CID 18148402

IUPACN-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H25ClN2O3S/c1-2-23(15-17-7-4-3-5-8-17)21(25)18-9-6-14-24(16-18)28(26,27)20-12-10-19(22)11-13-20/h3-5,7-8,10-13,18H,2,6,9,14-16H2,1H3
InChIKeyLFBXMFJKBWXNCC-UHFFFAOYSA-N
MW420.96 g/mol
LogP3.79
Rot. Bonds6

About N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide

N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide (PubChem CID 18148402) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
PubChem CID18148402
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC NameN-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H25ClN2O3S/c1-2-23(15-17-7-4-3-5-8-17)21(25)18-9-6-14-24(16-18)28(26,27)20-12-10-19(22)11-13-20/h3-5,7-8,10-13,18H,2,6,9,14-16H2,1H3
InChIKeyLFBXMFJKBWXNCC-UHFFFAOYSA-N
XLogP3.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 71737579
(3S)-N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 71737581
1-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 3846784
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
(3R)-N-benzyl-N-ethyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 92723457
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 55407096
1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide
CID 46438624
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 31118654
(3S)-N,N-dibenzyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41301972
N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3863405
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 46636602
(3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 25496863

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide (CID 18148402) is N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide?
The InChIKey is LFBXMFJKBWXNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-2-23(15-17-7-4-3-5-8-17)21(25)18-9-6-14-24(16-18)28(26,27)20-12-10-19(22)11-13-20/h3-5,7-8,10-13,18H,2,6,9,14-16H2,1H3.
What are the key properties of N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide?
N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide has a molecular weight of 420.96 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 18148402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).