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94136-00-2 | 4-[(1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL)METHYL]-N-PHENYLBENZENESULFONAMIDE
CAS No: 94136-00-2 Catalog No: AG005TIH MDL No:
Product Description
Catalog Number:
AG005TIH
Chemical Name:
4-[(1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL)METHYL]-N-PHENYLBENZENESULFONAMIDE
CAS Number:
94136-00-2
Molecular Formula:
C21H16N2O4S
Molecular Weight:
392.4277
IUPAC Name:
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzenesulfonamide
InChI:
InChI=1S/C21H16N2O4S/c24-20-18-8-4-5-9-19(18)21(25)23(20)14-15-10-12-17(13-11-15)28(26,27)22-16-6-2-1-3-7-16/h1-13,22H,14H2
InChI Key:
SMUPUARPBURVSD-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccc(cc2)S(=O)(=O)Nc2ccccc2)C(=O)c2c1cccc2
EC Number:
302-972-4
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.083g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.429g/mol
Monoisotopic Mass:
392.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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