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Home > Sulfanilamide > 834912-20-8
834912-20-8 | Methanesulfonamide, N-[4-[(1Z)-1,2-diphenyl-1-octenyl]phenyl]-
CAS No: 834912-20-8 Catalog No: AG008JAZ MDL No:
Product Description
Catalog Number:
AG008JAZ
Chemical Name:
Methanesulfonamide, N-[4-[(1Z)-1,2-diphenyl-1-octenyl]phenyl]-
CAS Number:
834912-20-8
Molecular Formula:
C27H31NO2S
Molecular Weight:
433.6055
IUPAC Name:
N-[4-(1,2-diphenyloct-1-enyl)phenyl]methanesulfonamide
InChI:
InChI=1S/C27H31NO2S/c1-3-4-5-12-17-26(22-13-8-6-9-14-22)27(23-15-10-7-11-16-23)24-18-20-25(21-19-24)28-31(2,29)30/h6-11,13-16,18-21,28H,3-5,12,17H2,1-2H3
InChI Key:
ZUYRLXUNPGJIIF-UHFFFAOYSA-N
SMILES:
CCCCCC/C(=C(/c1ccc(cc1)NS(=O)(=O)C)\c1ccccc1)/c1ccccc1
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.208g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
433.61g/mol
Monoisotopic Mass:
433.208g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.3
Literature
| Title | Journal |
|---|---|
| Design and synthesis of (Z)-1,2-diphenyl-1-(4-methanesulfonamidophenyl)alk-1-enes and (Z)-1-(4-azidophenyl)-1,2-diphenylalk-1-enes: novel inhibitors of cyclooxygenase-2 (COX-2) with anti-inflammatory and analgesic activity. | Bioorganic & medicinal chemistry 20050117 |
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