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89820-20-2 | N-[1-(3,4-DICHLOROPHENYL)ETHYL]-N-(OXIRAN-2-YLMETHYL)BENZENESULFONAMIDE
CAS No: 89820-20-2 Catalog No: AG003Z67 MDL No:
Product Description
Catalog Number:
AG003Z67
Chemical Name:
N-[1-(3,4-DICHLOROPHENYL)ETHYL]-N-(OXIRAN-2-YLMETHYL)BENZENESULFONAMIDE
CAS Number:
89820-20-2
Molecular Formula:
C17H17Cl2NO3S
Molecular Weight:
386.2928
IUPAC Name:
N-[1-(3,4-dichlorophenyl)ethyl]-N-(oxiran-2-ylmethyl)benzenesulfonamide
InChI:
InChI=1S/C17H17Cl2NO3S/c1-12(13-7-8-16(18)17(19)9-13)20(10-14-11-23-14)24(21,22)15-5-3-2-4-6-15/h2-9,12,14H,10-11H2,1H3
InChI Key:
GWSWGTDBOPLGEH-UHFFFAOYSA-N
SMILES:
CC(N(S(=O)(=O)c1ccccc1)CC1CO1)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.031g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.287g/mol
Monoisotopic Mass:
385.031g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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