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6801-48-5 | N-hexyl-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CAS No: 6801-48-5 Catalog No: AG005NX2 MDL No:
Product Description
Catalog Number:
AG005NX2
Chemical Name:
N-hexyl-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CAS Number:
6801-48-5
Molecular Formula:
C26H33N3O4S
Molecular Weight:
483.6229
IUPAC Name:
N-hexyl-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
InChI:
InChI=1S/C26H33N3O4S/c1-5-6-7-8-15-27-26(31)23-17-28-24-14-13-21(16-22(24)25(23)30)34(32,33)29(4)20-11-9-19(10-12-20)18(2)3/h9-14,16-18H,5-8,15H2,1-4H3,(H,27,31)(H,28,30)
InChI Key:
DZVFZPXDYBPEBZ-UHFFFAOYSA-N
SMILES:
CCCCCCNC(=O)c1c[nH]c2c(c1=O)cc(cc2)S(=O)(=O)N(c1ccc(cc1)C(C)C)C
Properties
Complexity:
841
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.219g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
483.627g/mol
Monoisotopic Mass:
483.219g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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