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Home > Indoles and Oxindole > 784137-02-6
784137-02-6 | Benzenesulfonamide, 4-butyl-N-(2,3-dihydro-1H-isoindol-5-yl)-
CAS No: 784137-02-6 Catalog No: AG005B5T MDL No:
Product Description
Catalog Number:
AG005B5T
Chemical Name:
Benzenesulfonamide, 4-butyl-N-(2,3-dihydro-1H-isoindol-5-yl)-
CAS Number:
784137-02-6
Molecular Formula:
C18H22N2O2S
Molecular Weight:
330.4445
IUPAC Name:
4-butyl-N-(2,3-dihydro-1H-isoindol-5-yl)benzenesulfonamide
InChI:
InChI=1S/C18H22N2O2S/c1-2-3-4-14-5-9-18(10-6-14)23(21,22)20-17-8-7-15-12-19-13-16(15)11-17/h5-11,19-20H,2-4,12-13H2,1H3
InChI Key:
XYRLMCYNIVWAAM-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)CNC2
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.14g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.446g/mol
Monoisotopic Mass:
330.14g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Studies towards the identification of a new generation of atypical antipsychotic agents. | Bioorganic & medicinal chemistry letters 20070115 |
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