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379726-54-2 | 3-amino-N-(4-iodophenyl)-4-methoxybenzene-1-sulfonamide
CAS No: 379726-54-2 Catalog No: AG01FIMN MDL No:
Product Description
Catalog Number:
AG01FIMN
Chemical Name:
3-amino-N-(4-iodophenyl)-4-methoxybenzene-1-sulfonamide
CAS Number:
379726-54-2
Molecular Formula:
C13H13IN2O3S
Molecular Weight:
404.2234
IUPAC Name:
3-amino-N-(4-iodophenyl)-4-methoxybenzenesulfonamide
InChI:
InChI=1S/C13H13IN2O3S/c1-19-13-7-6-11(8-12(13)15)20(17,18)16-10-4-2-9(14)3-5-10/h2-8,16H,15H2,1H3
InChI Key:
YRAPMRASARDBGW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N)S(=O)(=O)Nc1ccc(cc1)I
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.969g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
404.222g/mol
Monoisotopic Mass:
403.969g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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