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Home > Indoles and Oxindole > 81114-41-2
81114-41-2 | 1-(benzenesulfonyl)-2,3-dihydroindole
CAS No: 81114-41-2 Catalog No: AG01DHZ2 MDL No:MFCD00593594
Product Description
Catalog Number:
AG01DHZ2
Chemical Name:
1-(benzenesulfonyl)-2,3-dihydroindole
CAS Number:
81114-41-2
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
MDL Number:
MFCD00593594
IUPAC Name:
1-(benzenesulfonyl)-2,3-dihydroindole
InChI:
InChI=1S/C14H13NO2S/c16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15/h1-9H,10-11H2
InChI Key:
AVIIJCYFOVAPRK-UHFFFAOYSA-N
SMILES:
O=S(=O)(N1CCc2c1cccc2)c1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.323g/mol
Monoisotopic Mass:
259.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^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 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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