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16806-29-4 | Benzenesulfonamide, 4-amino-N-1,3,4-thiadiazol-2-yl-
CAS No: 16806-29-4 Catalog No: AG001XRZ MDL No:MFCD00592980
Product Description
Catalog Number:
AG001XRZ
Chemical Name:
Benzenesulfonamide, 4-amino-N-1,3,4-thiadiazol-2-yl-
CAS Number:
16806-29-4
Molecular Formula:
C8H8N4O2S2
Molecular Weight:
256.3047
MDL Number:
MFCD00592980
IUPAC Name:
4-amino-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
InChI:
InChI=1S/C8H8N4O2S2/c9-6-1-3-7(4-2-6)16(13,14)12-8-11-10-5-15-8/h1-5H,9H2,(H,11,12)
InChI Key:
ATEAASNFYTUARU-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)S(=O)(=O)Nc1scnn1
NSC Number:
35261
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.009g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.298g/mol
Monoisotopic Mass:
256.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. | Bioorganic & medicinal chemistry 20091001 |
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