NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
3-cyanobenzene-1-sulfonamide
|
|
|
IUPAC Traditional name
|
benzenesulfonamide, 3-cyano-
|
|
|
Synonyms
|
3-Cyanobenzenesulfonamide
|
3-Cyanobenzenesulfonamide
|
3-氰基苯磺酰胺
|
3-苯甲腈苯磺酸胺
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
9.970319
|
H Acceptors
|
3
|
H Donor
|
1
|
LogD (pH = 5.5)
|
0.43535975
|
LogD (pH = 7.4)
|
0.43433946
|
Log P
|
0.43537277
|
Molar Refractivity
|
43.9375 cm3
|
Polarizability
|
17.477251 Å3
|
Polar Surface Area
|
83.95 Å2
|
Rotatable Bonds
|
1
|
Lipinski's Rule of Five
|
true
|
DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent