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87690-20-8 | N-[1-(3-METHOXYPHENYL)ETHYL]-N-(OXIRAN-2-YLMETHYL)BENZENESULFONAMIDE
CAS No: 87690-20-8 Catalog No: AG008DUD MDL No:
Product Description
Catalog Number:
AG008DUD
Chemical Name:
N-[1-(3-METHOXYPHENYL)ETHYL]-N-(OXIRAN-2-YLMETHYL)BENZENESULFONAMIDE
CAS Number:
87690-20-8
Molecular Formula:
C18H21NO4S
Molecular Weight:
347.4286
IUPAC Name:
N-[1-(3-methoxyphenyl)ethyl]-N-(oxiran-2-ylmethyl)benzenesulfonamide
InChI:
InChI=1S/C18H21NO4S/c1-14(15-7-6-8-16(11-15)22-2)19(12-17-13-23-17)24(20,21)18-9-4-3-5-10-18/h3-11,14,17H,12-13H2,1-2H3
InChI Key:
OTEWAHNXRMHCRT-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(N(S(=O)(=O)c1ccccc1)CC1CO1)C
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.119g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.429g/mol
Monoisotopic Mass:
347.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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