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89820-15-5 | N-(OXIRAN-2-YLMETHYL)-N-[1-(2,4,6-TRIMETHYLPHENYL)ETHYL]BENZENESULFONAMIDE
CAS No: 89820-15-5 Catalog No: AG003Z68 MDL No:
Product Description
Catalog Number:
AG003Z68
Chemical Name:
N-(OXIRAN-2-YLMETHYL)-N-[1-(2,4,6-TRIMETHYLPHENYL)ETHYL]BENZENESULFONAMIDE
CAS Number:
89820-15-5
Molecular Formula:
C20H25NO3S
Molecular Weight:
359.4824
IUPAC Name:
N-(oxiran-2-ylmethyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]benzenesulfonamide
InChI:
InChI=1S/C20H25NO3S/c1-14-10-15(2)20(16(3)11-14)17(4)21(12-18-13-24-18)25(22,23)19-8-6-5-7-9-19/h5-11,17-18H,12-13H2,1-4H3
InChI Key:
QABYSGRTVPLCBM-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)C(N(S(=O)(=O)c1ccccc1)CC1CO1)C
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.156g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.484g/mol
Monoisotopic Mass:
359.156g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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