Home > Compound List > Compound details
 molecular structure
click picture or here to close

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

ChemBase ID: 341591
Molecular Formular: C15H23FN2O2S
Molecular Mass: 314.4187232
Monoisotopic Mass: 314.14642721
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CC(CCc2cc(F)ccc2)CCC1)N(C)C
Canonical SMILES:
Fc1cccc(c1)CCC1CCCN(C1)S(=O)(=O)N(C)C
InChI:
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
InChIKey:
GQHXTXHHNOZALN-UHFFFAOYSA-N

Cite this record

CBID:341591 http://www.chembase.cn/molecule-341591.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
IUPAC Traditional name
3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
Synonyms
3-[2-(3-fluorophenyl)ethyl]-N,N-dimethyl-1-piperidinesulfonamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 14040834 external link Add to cart
Data Source Data ID Price
ChemBridge
14040834 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.2843812  LogD (pH = 7.4) 2.2843826 
Log P 2.2843826  Molar Refractivity 82.5554 cm3
Polarizability 32.613224 Å3 Polar Surface Area 40.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.9  LOG S -4.85 
Polar Surface Area 40.62 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle