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Home > Indoles and Oxindole > 918493-44-4
918493-44-4 | 4-Pyridinecarboxamide, N-[5-chloro-3-(phenylsulfonyl)-1H-indol-2-yl]-
CAS No: 918493-44-4 Catalog No: AG006Q4P MDL No:
Product Description
Catalog Number:
AG006Q4P
Chemical Name:
4-Pyridinecarboxamide, N-[5-chloro-3-(phenylsulfonyl)-1H-indol-2-yl]-
CAS Number:
918493-44-4
Molecular Formula:
C20H14ClN3O3S
Molecular Weight:
411.8615
IUPAC Name:
N-[3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl]pyridine-4-carboxamide
InChI:
InChI=1S/C20H14ClN3O3S/c21-14-6-7-17-16(12-14)18(28(26,27)15-4-2-1-3-5-15)19(23-17)24-20(25)13-8-10-22-11-9-13/h1-12,23H,(H,24,25)
InChI Key:
BTAKXACRHJKSPK-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(c([nH]2)NC(=O)c1ccncc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.044g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
411.86g/mol
Monoisotopic Mass:
411.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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