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Home > Sulfanilamide > 923105-86-6
923105-86-6 | 2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide
CAS No: 923105-86-6 Catalog No: AG019PX9 MDL No:MFCD08444762
Product Description
Catalog Number:
AG019PX9
Chemical Name:
2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide
CAS Number:
923105-86-6
Molecular Formula:
C9H9N3O4S
Molecular Weight:
255.2505
MDL Number:
MFCD08444762
IUPAC Name:
2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
InChI:
InChI=1S/C9H9N3O4S/c10-17(15,16)5-1-2-6-7(3-5)12-9(14)4-8(13)11-6/h1-3H,4H2,(H,11,13)(H,12,14)(H2,10,15,16)
InChI Key:
XPRIVEDODHGKTJ-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)Nc2c(N1)cc(cc2)S(=O)(=O)N
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.248g/mol
Monoisotopic Mass:
255.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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