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87690-45-7 | N-[1-(3-METHYLPHENYL)ETHYL]-N-(OXIRAN-2-YLMETHYL)BENZENESULFONAMIDE
CAS No: 87690-45-7 Catalog No: AG004NSA MDL No:
Product Description
Catalog Number:
AG004NSA
Chemical Name:
N-[1-(3-METHYLPHENYL)ETHYL]-N-(OXIRAN-2-YLMETHYL)BENZENESULFONAMIDE
CAS Number:
87690-45-7
Molecular Formula:
C18H21NO3S
Molecular Weight:
331.4292
IUPAC Name:
N-[1-(3-methylphenyl)ethyl]-N-(oxiran-2-ylmethyl)benzenesulfonamide
InChI:
InChI=1S/C18H21NO3S/c1-14-7-6-8-16(11-14)15(2)19(12-17-13-22-17)23(20,21)18-9-4-3-5-10-18/h3-11,15,17H,12-13H2,1-2H3
InChI Key:
CMAJVKQKIIJHRX-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(N(S(=O)(=O)c1ccccc1)CC1OC1)C
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.124g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.43g/mol
Monoisotopic Mass:
331.124g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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