sildenafil
C₂₂H₃₀N₆O₄S·474.600 g/mol·CID 135398744
IUPAC: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Also known as: 139755-83-2, Aphrodil, Vizarsin, Sildenafilo, Patrex (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
474.600g/mol
Exact Mass
474.204925Da
Monoisotopic Mass
474.204925Da
XLogP
1.5
Polar Surface Area
118.0Ų
Complexity
838
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
8
Rotatable Bonds
7
Heavy Atoms
33
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 474.6 g/mol
MW ≤ 500
✓ 1.5
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 8
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H302Harmful if swallowedH319Causes serious eye irritationH412Harmful to aquatic life with long lasting effectsH315Causes skin irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)