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Home > Sulfanilamide > 743442-05-9
743442-05-9 | 1-hydroxy-N,N-dimethyl-1H-1,3-benzodiazole-6-sulfonamide
CAS No: 743442-05-9 Catalog No: AG019J5G MDL No:MFCD05262966
Product Description
Catalog Number:
AG019J5G
Chemical Name:
1-hydroxy-N,N-dimethyl-1H-1,3-benzodiazole-6-sulfonamide
CAS Number:
743442-05-9
Molecular Formula:
C9H11N3O3S
Molecular Weight:
241.2669
MDL Number:
MFCD05262966
IUPAC Name:
3-hydroxy-N,N-dimethylbenzimidazole-5-sulfonamide
InChI:
InChI=1S/C9H11N3O3S/c1-11(2)16(14,15)7-3-4-8-9(5-7)12(13)6-10-8/h3-6,13H,1-2H3
InChI Key:
UXXJRWGVFBMACP-UHFFFAOYSA-N
SMILES:
On1cnc2c1cc(cc2)S(=O)(=O)N(C)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.265g/mol
Monoisotopic Mass:
241.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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