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

(benzylsulfamoyl)({2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl})amine

ChemBase ID: 341671
Molecular Formular: C15H17F3N4O2S
Molecular Mass: 374.3812896
Monoisotopic Mass: 374.10243146
SMILES and InChIs

SMILES:
S(=O)(=O)(NCc1ccccc1)NCCc1nc(C(F)(F)F)cc(n1)C
Canonical SMILES:
Cc1nc(CCNS(=O)(=O)NCc2ccccc2)nc(c1)C(F)(F)F
InChI:
InChI=1S/C15H17F3N4O2S/c1-11-9-13(15(16,17)18)22-14(21-11)7-8-19-25(23,24)20-10-12-5-3-2-4-6-12/h2-6,9,19-20H,7-8,10H2,1H3
InChIKey:
ZJCTVZCDQWKSIR-UHFFFAOYSA-N

Cite this record

CBID:341671 http://www.chembase.cn/molecule-341671.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(benzylsulfamoyl)({2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl})amine
IUPAC Traditional name
(benzylsulfamoyl)({2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl})amine
Synonyms
N-benzyl-N'-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}sulfamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 14051995 external link Add to cart
Data Source Data ID Price
ChemBridge
14051995 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 10.163862  H Acceptors
H Donor LogD (pH = 5.5) 2.2561908 
LogD (pH = 7.4) 2.2557838  Log P 2.2564702 
Molar Refractivity 86.9278 cm3 Polarizability 33.37097 Å3
Polar Surface Area 83.98 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.12  LOG S -3.74 
Polar Surface Area 83.98 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