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

C15H21ClN2O3S — CID 53289476

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O3S/c1-2-17-15(19)13-4-3-9-18(10-13)22(20,21)11-12-5-7-14(16)8-6-12/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyZLGWGZKXWBPRSA-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.02
Rot. Bonds5

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

1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide (PubChem CID 53289476) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
PubChem CID53289476
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O3S/c1-2-17-15(19)13-4-3-9-18(10-13)22(20,21)11-12-5-7-14(16)8-6-12/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyZLGWGZKXWBPRSA-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
CID 92641651
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
CID 92641650
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 95875436
1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 50810963
(3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641842
(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 92641894
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 92641975
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51393659
(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641906
1-[(4-chlorophenyl)methylsulfonyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 50810945
1-benzylsulfonyl-N-[2-(ethylamino)ethyl]piperidine-3-carboxamide
CID 119506455
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92642013

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide (CID 53289476) is 1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide is CCNC(=O)C1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide?
The InChIKey is ZLGWGZKXWBPRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-2-17-15(19)13-4-3-9-18(10-13)22(20,21)11-12-5-7-14(16)8-6-12/h5-8,13H,2-4,9-11H2,1H3,(H,17,19).
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide?
1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide has a molecular weight of 344.86 g/mol, XLogP of 2.02, 5 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-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 53289476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).