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917747-19-4 | N-[4-(5-Mercapto-[1,3,4]oxadiazol-2-yl)-phenyl]-4-methyl-benzenesulfonamide
CAS No: 917747-19-4 Catalog No: AG01F4FN MDL No:
Product Description
Catalog Number:
AG01F4FN
Chemical Name:
N-[4-(5-Mercapto-[1,3,4]oxadiazol-2-yl)-phenyl]-4-methyl-benzenesulfonamide
CAS Number:
917747-19-4
Molecular Formula:
C15H13N3O3S2
Molecular Weight:
347.4120
IUPAC Name:
4-methyl-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C15H13N3O3S2/c1-10-2-8-13(9-3-10)23(19,20)18-12-6-4-11(5-7-12)14-16-17-15(22)21-14/h2-9,18H,1H3,(H,17,22)
InChI Key:
GPORCSOQLRHYTQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)c1nnc(o1)S
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.04g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
347.407g/mol
Monoisotopic Mass:
347.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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