N-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide

C15H20ClFN2O3S — CID 3244069

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H20ClFN2O3S/c1-2-23(21,22)19-7-5-11(6-8-19)15(20)18-10-12-3-4-13(17)9-14(12)16/h3-4,9,11H,2,5-8,10H2,1H3,(H,18,20)
InChIKeyBVCZGIWUAVZBNX-UHFFFAOYSA-N
MW362.85 g/mol
LogP2.16
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 3244069) has the molecular formula C15H20ClFN2O3S and a molecular weight of 362.85 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID3244069
Molecular FormulaC15H20ClFN2O3S
Molecular Weight362.85 g/mol
Exact Mass362.09
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H20ClFN2O3S/c1-2-23(21,22)19-7-5-11(6-8-19)15(20)18-10-12-3-4-13(17)9-14(12)16/h3-4,9,11H,2,5-8,10H2,1H3,(H,18,20)
InChIKeyBVCZGIWUAVZBNX-UHFFFAOYSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.85
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3,5-Dichlorophenyl)sulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 134604213
N-(4-chlorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 755616
N-(4-fluorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 5123394
N1-(2,4-dichlorobenzyl)-N4-(2-(methylsulfonyl)ethyl)piperidine-1,4-dicarboxamide
CID 24748557
N-(2,4-dichlorobenzyl)-1-(2-fluorophenylsulfonyl)piperidine-4-carboxamide
CID 27646915
N-(2-chloro-6-fluorobenzyl)-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 44591963
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
CID 1077699
N-(2-chlorobenzyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 1209529
N-(4-chlorobenzyl)-1-[(4-fluorophenyl)sulfonyl]-4-piperidinecarboxamide
CID 1327917
1-(4-Chloro-benzenesulfonyl)-piperidine-4-carboxylic acid 4-fluoro-benzylamide
CID 2668514
N-(2-chlorobenzyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3236552
1-(ethylsulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3237090

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 3244069) is N-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is BVCZGIWUAVZBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O3S/c1-2-23(21,22)19-7-5-11(6-8-19)15(20)18-10-12-3-4-13(17)9-14(12)16/h3-4,9,11H,2,5-8,10H2,1H3,(H,18,20).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 362.85 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3244069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).