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450354-79-7 | Benzenesulfonamide, 2-methyl-N-(2-phenylethyl)-5-(phenylsulfonyl)-
CAS No: 450354-79-7 Catalog No: AG0070B3 MDL No:
Product Description
Catalog Number:
AG0070B3
Chemical Name:
Benzenesulfonamide, 2-methyl-N-(2-phenylethyl)-5-(phenylsulfonyl)-
CAS Number:
450354-79-7
Molecular Formula:
C21H21NO4S2
Molecular Weight:
415.5257
IUPAC Name:
5-(benzenesulfonyl)-2-methyl-N-(2-phenylethyl)benzenesulfonamide
InChI:
InChI=1S/C21H21NO4S2/c1-17-12-13-20(27(23,24)19-10-6-3-7-11-19)16-21(17)28(25,26)22-15-14-18-8-4-2-5-9-18/h2-13,16,22H,14-15H2,1H3
InChI Key:
LIZDBEGZOXTKPD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1S(=O)(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
681
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.091g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.522g/mol
Monoisotopic Mass:
415.091g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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