3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide

C15H23FN2O2S — CID 45174478

IUPAC3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(CCc2cccc(F)c2)C1
InChIInChI=1S/C15H23FN2O2S/c1-17(2)21(19,20)18-10-4-6-14(12-18)9-8-13-5-3-7-15(16)11-13/h3,5,7,11,14H,4,6,8-10,12H2,1-2H3
InChIKeyGQHXTXHHNOZALN-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.28
Rot. Bonds5

About 3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide

3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 45174478) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID45174478
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(CCc2cccc(F)c2)C1
InChIInChI=1S/C15H23FN2O2S/c1-17(2)21(19,20)18-10-4-6-14(12-18)9-8-13-5-3-7-15(16)11-13/h3,5,7,11,14H,4,6,8-10,12H2,1-2H3
InChIKeyGQHXTXHHNOZALN-UHFFFAOYSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 26411785
(3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 26393154
(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809657
3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110264024
N-[2-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 25485498
(3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide
CID 95838129
(3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine
CID 42212255
1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine
CID 121092351
1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 95200233
1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 56743313
1-[4-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 26401825
4,4,4-trifluoro-1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]butan-1-one
CID 95129018

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 45174478) is 3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC(CCc2cccc(F)c2)C1.
What is the InChIKey of 3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is GQHXTXHHNOZALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-17(2)21(19,20)18-10-4-6-14(12-18)9-8-13-5-3-7-15(16)11-13/h3,5,7,11,14H,4,6,8-10,12H2,1-2H3.
What are the key properties of 3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide?
3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 45174478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).