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88207-49-2 | 1H-Indole, 2-(2-aminophenyl)-3-chloro-1-(phenylsulfonyl)-
CAS No: 88207-49-2 Catalog No: AG004C3G MDL No:
Product Description
Catalog Number:
AG004C3G
Chemical Name:
1H-Indole, 2-(2-aminophenyl)-3-chloro-1-(phenylsulfonyl)-
CAS Number:
88207-49-2
Molecular Formula:
C20H15ClN2O2S
Molecular Weight:
382.8633
IUPAC Name:
2-[1-(benzenesulfonyl)-3-chloroindol-2-yl]aniline
InChI:
InChI=1S/C20H15ClN2O2S/c21-19-16-11-5-7-13-18(16)23(20(19)15-10-4-6-12-17(15)22)26(24,25)14-8-2-1-3-9-14/h1-13H,22H2
InChI Key:
NJUUMXKGSCUTBH-UHFFFAOYSA-N
SMILES:
Nc1ccccc1c1c(Cl)c2c(n1S(=O)(=O)c1ccccc1)cccc2
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.054g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.862g/mol
Monoisotopic Mass:
382.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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