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87975-33-5 | Ethanesulfonamide, 1-bromo-N-ethyl-2-[(phenylmethyl)amino]-
CAS No: 87975-33-5 Catalog No: AG004IF0 MDL No:
Product Description
Catalog Number:
AG004IF0
Chemical Name:
Ethanesulfonamide, 1-bromo-N-ethyl-2-[(phenylmethyl)amino]-
CAS Number:
87975-33-5
Molecular Formula:
C11H17BrN2O2S
Molecular Weight:
321.2339
IUPAC Name:
2-(benzylamino)-1-bromo-N-ethylethanesulfonamide
InChI:
InChI=1S/C11H17BrN2O2S/c1-2-14-17(15,16)11(12)9-13-8-10-6-4-3-5-7-10/h3-7,11,13-14H,2,8-9H2,1H3
InChI Key:
CBANRNHPAXPOCM-UHFFFAOYSA-N
SMILES:
CCNS(=O)(=O)C(CNCc1ccccc1)Br
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.019g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.233g/mol
Monoisotopic Mass:
320.019g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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