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5434-99-1 | 1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinoline
CAS No: 5434-99-1 Catalog No: AG00J58V MDL No:MFCD00591801
Product Description
Catalog Number:
AG00J58V
Chemical Name:
1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinoline
CAS Number:
5434-99-1
Molecular Formula:
C15H15NO2S
Molecular Weight:
273.3501
MDL Number:
MFCD00591801
IUPAC Name:
1-(benzenesulfonyl)-3,4-dihydro-2H-quinoline
InChI:
InChI=1S/C15H15NO2S/c17-19(18,14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-11H,6,8,12H2
InChI Key:
GPSUPBMZQAGMSS-UHFFFAOYSA-N
SMILES:
O=S(=O)(N1CCCc2c1cccc2)c1ccccc1
NSC Number:
15152
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.35g/mol
Monoisotopic Mass:
273.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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