1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide

C21H25ClN2O3S — CID 50810963

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-2-16-7-11-20(12-8-16)23-21(25)18-4-3-13-24(14-18)28(26,27)15-17-5-9-19(22)10-6-17/h5-12,18H,2-4,13-15H2,1H3,(H,23,25)
InChIKeyHDRZVUBRHJTNPU-UHFFFAOYSA-N
MW420.96 g/mol
LogP4.08
Rot. Bonds6

About 1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide

1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide (PubChem CID 50810963) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
PubChem CID50810963
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-2-16-7-11-20(12-8-16)23-21(25)18-4-3-13-24(14-18)28(26,27)15-17-5-9-19(22)10-6-17/h5-12,18H,2-4,13-15H2,1H3,(H,23,25)
InChIKeyHDRZVUBRHJTNPU-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 92641729
(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447063
1-[(4-chlorophenyl)methylsulfonyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 50810945
1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
CID 53289476
(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641906
(3S)-1-(2,5-dichlorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 126397151
(3S)-N-(4-ethylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641457
(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 92641894
N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50810841
(3R)-N-(4-chlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641424
methyl 2-[[(3S)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carbonyl]amino]benzoate
CID 92641920
1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 50808955

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide (CID 50810963) is 1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide is CCc1ccc(NC(=O)C2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide?
The InChIKey is HDRZVUBRHJTNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-2-16-7-11-20(12-8-16)23-21(25)18-4-3-13-24(14-18)28(26,27)15-17-5-9-19(22)10-6-17/h5-12,18H,2-4,13-15H2,1H3,(H,23,25).
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide?
1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide has a molecular weight of 420.96 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 50810963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).