200,000+ products from a single source!
sales@angenechem.com
Home > Sulfanilamide > 917747-44-5
917747-44-5 | N-{4-[5-Mercapto-4-(4-methoxy-phenyl)-4H-[1,2,4]triazol-3-yl]-phenyl}-benzenesulfonamide
CAS No: 917747-44-5 Catalog No: AG01F395 MDL No:
Product Description
Catalog Number:
AG01F395
Chemical Name:
N-{4-[5-Mercapto-4-(4-methoxy-phenyl)-4H-[1,2,4]triazol-3-yl]-phenyl}-benzenesulfonamide
CAS Number:
917747-44-5
Molecular Formula:
C21H18N4O3S2
Molecular Weight:
438.5226
IUPAC Name:
N-[4-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide
InChI:
InChI=1S/C21H18N4O3S2/c1-28-18-13-11-17(12-14-18)25-20(22-23-21(25)29)15-7-9-16(10-8-15)24-30(26,27)19-5-3-2-4-6-19/h2-14,24H,1H3,(H,23,29)
InChI Key:
PPHOGCLYHAVSAH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(S)nnc1c1ccc(cc1)NS(=O)(=O)c1ccccc1
Properties
Complexity:
730
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.082g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
438.52g/mol
Monoisotopic Mass:
438.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.