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824390-89-8 | Benzenesulfonamide, N-[1-(3-bromophenyl)-2-propenyl]-4-methyl-
CAS No: 824390-89-8 Catalog No: AG005BC5 MDL No:
Product Description
Catalog Number:
AG005BC5
Chemical Name:
Benzenesulfonamide, N-[1-(3-bromophenyl)-2-propenyl]-4-methyl-
CAS Number:
824390-89-8
Molecular Formula:
C16H16BrNO2S
Molecular Weight:
366.2727
IUPAC Name:
N-[1-(3-bromophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C16H16BrNO2S/c1-3-16(13-5-4-6-14(17)11-13)18-21(19,20)15-9-7-12(2)8-10-15/h3-11,16,18H,1H2,2H3
InChI Key:
OMASEGPAKIYAQD-UHFFFAOYSA-N
SMILES:
C=CC(c1cccc(c1)Br)NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.009g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.273g/mol
Monoisotopic Mass:
365.009g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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