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Home > Indoles and Oxindole > 89327-03-7
89327-03-7 | 1H-Indole, 3-[2,2-bis(phenylsulfonyl)ethyl]-
CAS No: 89327-03-7 Catalog No: AG003ZKP MDL No:
Product Description
Catalog Number:
AG003ZKP
Chemical Name:
1H-Indole, 3-[2,2-bis(phenylsulfonyl)ethyl]-
CAS Number:
89327-03-7
Molecular Formula:
C22H19NO4S2
Molecular Weight:
425.5206
IUPAC Name:
3-[2,2-bis(benzenesulfonyl)ethyl]-1H-indole
InChI:
InChI=1S/C22H19NO4S2/c24-28(25,18-9-3-1-4-10-18)22(29(26,27)19-11-5-2-6-12-19)15-17-16-23-21-14-8-7-13-20(17)21/h1-14,16,22-23H,15H2
InChI Key:
FINSEHDIDQYWHV-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(S(=O)(=O)c1ccccc1)Cc1c[nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
693
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:
1
Isotope Atom Count:
0
Molecular Weight:
425.517g/mol
Monoisotopic Mass:
425.076g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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