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KN-92 hydrochloride 5mg

CAT: 0628-A15138-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A15138-5Size:5 mg
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CAS Number
1431698-47-3

Chemical Information

KN-92 hydrochloride
CAS Number1431698-47-3
PubChem CID71576672
IUPAC NameN-[2-[[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]methyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride
Molecular FormulaC24H26Cl2N2O3S
Molecular Weight493.4
Topological Polar Surface Area67
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity650
SMILES
CN(C/C=C/C1=CC=C(C=C1)Cl)CC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)OC.Cl
InChI
InChI=1S/C24H25ClN2O3S.ClH/c1-27(17-5-6-19-9-11-21(25)12-10-19)18-20-7-3-4-8-24(20)26-31(28,29)23-15-13-22(30-2)14-16-23;/h3-16,26H,17-18H2,1-2H3;1H/b6-5+;
InChIKey
SHDNWBMPAAXAHM-IPZCTEOASA-N
Chemical Structure
2D Structure
2D structure of KN-92 hydrochloride
CAS: 1431698-47-3
CID: 71576672
Formula: C24H26Cl2N2O3S
MW: 493.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight493.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass492.1041193
Monoisotopic Mass492.1041193
Topological Polar Surface Area67 Ų
Heavy Atom Count32
Formal Charge0
Complexity650
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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