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681235-15-4 | Benzenesulfonamide, 4-isothiocyanato-N-2-quinoxalinyl-
CAS No: 681235-15-4 Catalog No: AG005ZU1 MDL No:
Product Description
Catalog Number:
AG005ZU1
Chemical Name:
Benzenesulfonamide, 4-isothiocyanato-N-2-quinoxalinyl-
CAS Number:
681235-15-4
Molecular Formula:
C15H10N4O2S2
Molecular Weight:
342.3955
IUPAC Name:
4-isothiocyanato-N-quinoxalin-2-ylbenzenesulfonamide
InChI:
InChI=1S/C15H10N4O2S2/c20-23(21,12-7-5-11(6-8-12)17-10-22)19-15-9-16-13-3-1-2-4-14(13)18-15/h1-9H,(H,18,19)
InChI Key:
VKGAYTSLUKDQGQ-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.025g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.391g/mol
Monoisotopic Mass:
342.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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