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877459-36-4

877459-36-4 | N-[3-(benzyloxy)pyridin-2-yl]benzenesulfonamide

CAS No: 877459-36-4 Catalog No: AG00IT5R MDL No:MFCD03839445

Product Description

Catalog Number:
AG00IT5R
Chemical Name:
N-[3-(benzyloxy)pyridin-2-yl]benzenesulfonamide
CAS Number:
877459-36-4
Molecular Formula:
C18H16N2O3S
Molecular Weight:
340.3962
MDL Number:
MFCD03839445
IUPAC Name:
N-(3-phenylmethoxypyridin-2-yl)benzenesulfonamide
InChI:
InChI=1S/C18H16N2O3S/c21-24(22,16-10-5-2-6-11-16)20-18-17(12-7-13-19-18)23-14-15-8-3-1-4-9-15/h1-13H,14H2,(H,19,20)
InChI Key:
JBHHMMLJGNLVNB-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)Nc1ncccc1OCc1ccccc1

Properties

Complexity:
465  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.088g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
340.397g/mol
Monoisotopic Mass:
340.088g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Literature

Title Journal
Structure-based design, synthesis, and biological evaluation of novel inhibitors of human cyclophilin A. Journal of medicinal chemistry 20060209

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