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15728-43-5 | 1H-Benzimidazole, 1-(phenylsulfonyl)-
CAS No: 15728-43-5 Catalog No: AG001PCD MDL No:
Product Description
Catalog Number:
AG001PCD
Chemical Name:
1H-Benzimidazole, 1-(phenylsulfonyl)-
CAS Number:
15728-43-5
Molecular Formula:
C13H10N2O2S
Molecular Weight:
258.2957
IUPAC Name:
1-(benzenesulfonyl)benzimidazole
InChI:
InChI=1S/C13H10N2O2S/c16-18(17,11-6-2-1-3-7-11)15-10-14-12-8-4-5-9-13(12)15/h1-10H
InChI Key:
YWBJNDLUMQNTOD-UHFFFAOYSA-N
SMILES:
O=S(=O)(n1cnc2c1cccc2)c1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.295g/mol
Monoisotopic Mass:
258.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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