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158729-31-8 | 8-Quinolinesulfonamide, N-[2-(dimethylamino)ethyl]-
CAS No: 158729-31-8 Catalog No: AG001QSM MDL No:
Product Description
Catalog Number:
AG001QSM
Chemical Name:
8-Quinolinesulfonamide, N-[2-(dimethylamino)ethyl]-
CAS Number:
158729-31-8
Molecular Formula:
C13H17N3O2S
Molecular Weight:
279.3580
IUPAC Name:
N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide
InChI:
InChI=1S/C13H17N3O2S/c1-16(2)10-9-15-19(17,18)12-7-3-5-11-6-4-8-14-13(11)12/h3-8,15H,9-10H2,1-2H3
InChI Key:
CLULZEOSYJWPEL-UHFFFAOYSA-N
SMILES:
CN(CCNS(=O)(=O)c1cccc2c1nccc2)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.358g/mol
Monoisotopic Mass:
279.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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