NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
N-{2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]phenyl}methanesulfonamide
|
|
|
IUPAC Traditional name
|
|
Synonyms
|
n-(2,4-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl)phenyl)methanesulfonamide
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
7.320683
|
H Acceptors
|
4
|
H Donor
|
1
|
LogD (pH = 5.5)
|
2.0476727
|
LogD (pH = 7.4)
|
1.7666607
|
Log P
|
2.053439
|
Molar Refractivity
|
79.0383 cm3
|
Polarizability
|
30.92404 Å3
|
Polar Surface Area
|
82.08 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Purity
|
98%
|
Show
data source
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent