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Home > Indoles and Oxindole > 648894-21-7
648894-21-7 | Benzenesulfonamide, 4-nitro-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]-
CAS No: 648894-21-7 Catalog No: AG006S7X MDL No:
Product Description
Catalog Number:
AG006S7X
Chemical Name:
Benzenesulfonamide, 4-nitro-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]-
CAS Number:
648894-21-7
Molecular Formula:
C22H19N3O4S
Molecular Weight:
421.4690
IUPAC Name:
4-nitro-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide
InChI:
InChI=1S/C22H19N3O4S/c26-25(27)17-10-12-18(13-11-17)30(28,29)23-15-14-20-19-8-4-5-9-21(19)24-22(20)16-6-2-1-3-7-16/h1-13,23-24H,14-15H2
InChI Key:
KUPUSRVDZNPUPF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.11g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
421.471g/mol
Monoisotopic Mass:
421.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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