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166963-34-4 | [1,1'-Biphenyl]-4-sulfonamide, N-(4-bromo-3-methyl-5-isoxazolyl)-
CAS No: 166963-34-4 Catalog No: AG001X1N MDL No:
Product Description
Catalog Number:
AG001X1N
Chemical Name:
[1,1'-Biphenyl]-4-sulfonamide, N-(4-bromo-3-methyl-5-isoxazolyl)-
CAS Number:
166963-34-4
Molecular Formula:
C16H13BrN2O3S
Molecular Weight:
393.2550
IUPAC Name:
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-phenylbenzenesulfonamide
InChI:
InChI=1S/C16H13BrN2O3S/c1-11-15(17)16(22-18-11)19-23(20,21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,19H,1H3
InChI Key:
KMCRCRNDCWERHK-UHFFFAOYSA-N
SMILES:
Cc1noc(c1Br)NS(=O)(=O)c1ccc(cc1)c1ccccc1
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.983g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.255g/mol
Monoisotopic Mass:
391.983g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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