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88515-20-2 | 2-Benzothiazolesulfonamide, 5-(benzoyloxy)-
CAS No: 88515-20-2 Catalog No: AG004896 MDL No:
Product Description
Catalog Number:
AG004896
Chemical Name:
2-Benzothiazolesulfonamide, 5-(benzoyloxy)-
CAS Number:
88515-20-2
Molecular Formula:
C14H10N2O4S2
Molecular Weight:
334.3702
IUPAC Name:
(2-sulfamoyl-1,3-benzothiazol-5-yl) benzoate
InChI:
InChI=1S/C14H10N2O4S2/c15-22(18,19)14-16-11-8-10(6-7-12(11)21-14)20-13(17)9-4-2-1-3-5-9/h1-8H,(H2,15,18,19)
InChI Key:
BGJQPBYIZBHKSL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1ccc2c(c1)nc(s2)S(=O)(=O)N
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.008g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.364g/mol
Monoisotopic Mass:
334.008g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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