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861-67-6 | 4-methyl-N-trityl-benzenesulfonamide
CAS No: 861-67-6 Catalog No: AG004KUE MDL No:
Product Description
Catalog Number:
AG004KUE
Chemical Name:
4-methyl-N-trityl-benzenesulfonamide
CAS Number:
861-67-6
Molecular Formula:
C26H23NO2S
Molecular Weight:
413.5313
IUPAC Name:
4-methyl-N-tritylbenzenesulfonamide
InChI:
InChI=1S/C26H23NO2S/c1-21-17-19-25(20-18-21)30(28,29)27-26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,27H,1H3
InChI Key:
QZVOIGAQCUNKIG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
NSC Number:
144067
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.145g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.535g/mol
Monoisotopic Mass:
413.145g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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