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142598-62-7 | Benzenesulfonamide, N-(2-iodo-2-phenylethyl)-4-methyl-
CAS No: 142598-62-7 Catalog No: AG007ZCY MDL No:
Product Description
Catalog Number:
AG007ZCY
Chemical Name:
Benzenesulfonamide, N-(2-iodo-2-phenylethyl)-4-methyl-
CAS Number:
142598-62-7
Molecular Formula:
C15H16INO2S
Molecular Weight:
401.2625
IUPAC Name:
N-(2-iodo-2-phenylethyl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C15H16INO2S/c1-12-7-9-14(10-8-12)20(18,19)17-11-15(16)13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3
InChI Key:
WJGOKLQSZSUQKG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)NCC(c1ccccc1)I
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.995g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
401.262g/mol
Monoisotopic Mass:
400.995g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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