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198829-37-7 | Quinolinium, 4-chloro-1-ethyl-3-[(phenylamino)sulfonyl]-
CAS No: 198829-37-7 Catalog No: AG002BRA MDL No:
Product Description
Catalog Number:
AG002BRA
Chemical Name:
Quinolinium, 4-chloro-1-ethyl-3-[(phenylamino)sulfonyl]-
CAS Number:
198829-37-7
Molecular Formula:
C17H16ClN2O2S+
Molecular Weight:
347.8391
IUPAC Name:
4-chloro-1-ethyl-N-phenylquinolin-1-ium-3-sulfonamide
InChI:
InChI=1S/C17H16ClN2O2S/c1-2-20-12-16(17(18)14-10-6-7-11-15(14)20)23(21,22)19-13-8-4-3-5-9-13/h3-12,19H,2H2,1H3/q+1
InChI Key:
CEIMUGHULMBYRL-UHFFFAOYSA-N
SMILES:
CC[n+]1cc(c(c2c1cccc2)Cl)S(=O)(=O)Nc1ccccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.062g/mol
Formal Charge:
1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.837g/mol
Monoisotopic Mass:
347.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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