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Home > Sulfanilamide > 917747-41-2
917747-41-2 | N-[4-(5-Mercapto-4-p-tolyl-4H-[1,2,4]triazol-3-yl)-phenyl]-benzenesulfonamide
CAS No: 917747-41-2 Catalog No: AG01F489 MDL No:
Product Description
Catalog Number:
AG01F489
Chemical Name:
N-[4-(5-Mercapto-4-p-tolyl-4H-[1,2,4]triazol-3-yl)-phenyl]-benzenesulfonamide
CAS Number:
917747-41-2
Molecular Formula:
C21H18N4O2S2
Molecular Weight:
422.5232
IUPAC Name:
N-[4-[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide
InChI:
InChI=1S/C21H18N4O2S2/c1-15-7-13-18(14-8-15)25-20(22-23-21(25)28)16-9-11-17(12-10-16)24-29(26,27)19-5-3-2-4-6-19/h2-14,24H,1H3,(H,23,28)
InChI Key:
LQYKDPPBNNVIQY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(S)nnc1c1ccc(cc1)NS(=O)(=O)c1ccccc1
Properties
Complexity:
712
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.087g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
422.521g/mol
Monoisotopic Mass:
422.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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