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114194-18-2 | Benzamide, 4-[(4-bromophenyl)sulfonyl]-N-phenyl-
CAS No: 114194-18-2 Catalog No: AG000AS1 MDL No:
Product Description
Catalog Number:
AG000AS1
Chemical Name:
Benzamide, 4-[(4-bromophenyl)sulfonyl]-N-phenyl-
CAS Number:
114194-18-2
Molecular Formula:
C19H14BrNO3S
Molecular Weight:
416.2884
IUPAC Name:
4-(4-bromophenyl)sulfonyl-N-phenylbenzamide
InChI:
InChI=1S/C19H14BrNO3S/c20-15-8-12-18(13-9-15)25(23,24)17-10-6-14(7-11-17)19(22)21-16-4-2-1-3-5-16/h1-13H,(H,21,22)
InChI Key:
GTSPZDODCJMPPW-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.988g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
416.289g/mol
Monoisotopic Mass:
414.988g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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