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124596-96-9 | Benzenesulfonic acid, 2,5-bis(benzoylamino)-
CAS No: 124596-96-9 Catalog No: AG000MG1 MDL No:
Product Description
Catalog Number:
AG000MG1
Chemical Name:
Benzenesulfonic acid, 2,5-bis(benzoylamino)-
CAS Number:
124596-96-9
Molecular Formula:
C20H16N2O5S
Molecular Weight:
396.4164
IUPAC Name:
2,5-dibenzamidobenzenesulfonic acid
InChI:
InChI=1S/C20H16N2O5S/c23-19(14-7-3-1-4-8-14)21-16-11-12-17(18(13-16)28(25,26)27)22-20(24)15-9-5-2-6-10-15/h1-13H,(H,21,23)(H,22,24)(H,25,26,27)
InChI Key:
ROWKPMSYXFONAE-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccc(c(c1)S(=O)(=O)O)NC(=O)c1ccccc1
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.078g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
396.417g/mol
Monoisotopic Mass:
396.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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