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71001-75-7 | Benzenesulfonamide, 4-methyl-N-(9-phenyl-9H-thioxanthen-9-yl)-
CAS No: 71001-75-7 Catalog No: AG005F5B MDL No:
Product Description
Catalog Number:
AG005F5B
Chemical Name:
Benzenesulfonamide, 4-methyl-N-(9-phenyl-9H-thioxanthen-9-yl)-
CAS Number:
71001-75-7
Molecular Formula:
C26H21NO2S2
Molecular Weight:
443.5804
IUPAC Name:
4-methyl-N-(9-phenylthioxanthen-9-yl)benzenesulfonamide
InChI:
InChI=1S/C26H21NO2S2/c1-19-15-17-21(18-16-19)31(28,29)27-26(20-9-3-2-4-10-20)22-11-5-7-13-24(22)30-25-14-8-6-12-23(25)26/h2-18,27H,1H3
InChI Key:
KCXSCUPRANSVNZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)NC1(c2ccccc2)c2ccccc2Sc2c1cccc2
Properties
Complexity:
681
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.101g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
443.579g/mol
Monoisotopic Mass:
443.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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