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67508-22-9 | 4-methyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)benzenesulfonamide
CAS No: 67508-22-9 Catalog No: AG006G3Z MDL No:
Product Description
Catalog Number:
AG006G3Z
Chemical Name:
4-methyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)benzenesulfonamide
CAS Number:
67508-22-9
Molecular Formula:
C23H25NO4S2
Molecular Weight:
443.5789
IUPAC Name:
4-methyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)benzenesulfonamide
InChI:
InChI=1S/C23H25NO4S2/c1-19-10-14-22(15-11-19)29(25,26)24(18-6-9-21-7-4-3-5-8-21)30(27,28)23-16-12-20(2)13-17-23/h3-5,7-8,10-17H,6,9,18H2,1-2H3
InChI Key:
IDEFOUDUSHBRKQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N(S(=O)(=O)c1ccc(cc1)C)CCCc1ccccc1
NSC Number:
273938
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.123g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.576g/mol
Monoisotopic Mass:
443.123g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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