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94094-59-4 | N-[4-HYDROXY-3-(1-OXO-3-PHENYLALLYL)PHENYL]BENZENESULFONAMIDE
CAS No: 94094-59-4 Catalog No: AG006S33 MDL No:
Product Description
Catalog Number:
AG006S33
Chemical Name:
N-[4-HYDROXY-3-(1-OXO-3-PHENYLALLYL)PHENYL]BENZENESULFONAMIDE
CAS Number:
94094-59-4
Molecular Formula:
C21H17NO4S
Molecular Weight:
379.4290
IUPAC Name:
N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide
InChI:
InChI=1S/C21H17NO4S/c23-20(13-11-16-7-3-1-4-8-16)19-15-17(12-14-21(19)24)22-27(25,26)18-9-5-2-6-10-18/h1-15,22,24H/b13-11+
InChI Key:
WAGPHWCQZLAVCA-ACCUITESSA-N
SMILES:
O=C(c1cc(ccc1O)NS(=O)(=O)c1ccccc1)C=Cc1ccccc1
EC Number:
302-162-0
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
379.088g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
379.43g/mol
Monoisotopic Mass:
379.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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