NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-(2-{[(2E)-3-phenylprop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide
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IUPAC Traditional name
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N-(2-{[(2E)-3-phenylprop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide
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Synonyms
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H-88
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N-[2-(p-Cinnamylamino)ethyl]-5-isoquinolone Sulfonamide
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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10.041111
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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0.026158707
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LogD (pH = 7.4)
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1.7626019
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Log P
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2.4593127
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Molar Refractivity
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105.0615 cm3
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Polarizability
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42.405518 Å3
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Polar Surface Area
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71.09 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent