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351066-12-1 | N'-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-4-methoxybenzenesulfonohydrazide
CAS No: 351066-12-1 Catalog No: AG01EAK9 MDL No:
Product Description
Catalog Number:
AG01EAK9
Chemical Name:
N'-(1,1-Dioxido-1,2-benzisothiazol-3-yl)-4-methoxybenzenesulfonohydrazide
CAS Number:
351066-12-1
Molecular Formula:
C14H13N3O5S2
Molecular Weight:
367.4001
IUPAC Name:
N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxybenzenesulfonohydrazide
InChI:
InChI=1S/C14H13N3O5S2/c1-22-10-6-8-11(9-7-10)23(18,19)17-15-14-12-4-2-3-5-13(12)24(20,21)16-14/h2-9,17H,1H3,(H,15,16)
InChI Key:
HWXJTKMCUNVJCB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)NNC1=NS(=O)(=O)c2c1cccc2
Properties
Complexity:
685
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.03g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.394g/mol
Monoisotopic Mass:
367.03g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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