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Home > Indoles and Oxindole > 108861-47-8
108861-47-8 | 1H-Indole, 1-[(4-methylphenyl)sulfonyl]-4-[(phenylsulfonyl)methyl]-
CAS No: 108861-47-8 Catalog No: AG00831I MDL No:
Product Description
Catalog Number:
AG00831I
Chemical Name:
1H-Indole, 1-[(4-methylphenyl)sulfonyl]-4-[(phenylsulfonyl)methyl]-
CAS Number:
108861-47-8
Molecular Formula:
C22H19NO4S2
Molecular Weight:
425.5206
IUPAC Name:
4-(benzenesulfonylmethyl)-1-(4-methylphenyl)sulfonylindole
InChI:
InChI=1S/C22H19NO4S2/c1-17-10-12-20(13-11-17)29(26,27)23-15-14-21-18(6-5-9-22(21)23)16-28(24,25)19-7-3-2-4-8-19/h2-15H,16H2,1H3
InChI Key:
JUUOQHWDSRUCAK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1cccc2CS(=O)(=O)c1ccccc1
Properties
Complexity:
754
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.076g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.517g/mol
Monoisotopic Mass:
425.076g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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