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7355-01-3 | N,N-DIETHYL-1,2,3,4-TETRAHYDROQUINOLINE-6-SULFONAMIDE
CAS No: 7355-01-3 Catalog No: AG00FCHS MDL No:MFCD07687072
Product Description
Catalog Number:
AG00FCHS
Chemical Name:
N,N-DIETHYL-1,2,3,4-TETRAHYDROQUINOLINE-6-SULFONAMIDE
CAS Number:
7355-01-3
Molecular Formula:
C13H20N2O2S
Molecular Weight:
268.3751
MDL Number:
MFCD07687072
IUPAC Name:
N,N-diethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
InChI:
InChI=1S/C13H20N2O2S/c1-3-15(4-2)18(16,17)12-7-8-13-11(10-12)6-5-9-14-13/h7-8,10,14H,3-6,9H2,1-2H3
InChI Key:
AZAWSEXGTCHBKL-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc2c(c1)CCCN2)CC
NSC Number:
5459
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.125g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.375g/mol
Monoisotopic Mass:
268.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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