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CB-83

CAT: 0931-T69426-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T69426-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
333311-00-5
Target
Others
Related Pathways
Others
Bioactivity
CB-83 is a novel G6PD inhibitor.
Smiles
N(S(=O)(=O)C1=C(C)C=CC(C)=C1)C=2C3=C(C(O)=CC2)C=CC=C3
Molecular Formula
C18H17NO3S
Molecular Weight
327.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CAS Number333311-00-5
PubChem CID746362
IUPAC NameN-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
Molecular FormulaC18H17NO3S
Molecular Weight327.4
XLogP4.1
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity501
SMILES
CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C3=CC=CC=C32)O
InChI
InChI=1S/C18H17NO3S/c1-12-7-8-13(2)18(11-12)23(21,22)19-16-9-10-17(20)15-6-4-3-5-14(15)16/h3-11,19-20H,1-2H3
InChIKey
SEBVJYWOFMIHFC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CAS: 333311-00-5
CID: 746362
Formula: C18H17NO3S
MW: 327.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass327.09291458
Monoisotopic Mass327.09291458
Topological Polar Surface Area74.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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