BENZENESULFONAMIDE, N-(4-AMINO-9,10-DIHYDRO-3-METHOXY-9,10-DIOXO-1-ANTHRACENYL)-

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
UNII BZF3HL8PG7
EPA CompTox DTXSID8071986

Structure

InChI Key ZUWHJJGOYZUNDW-UHFFFAOYSA-N
Smiles COc1cc(NS(=O)(=O)c2ccccc2)c2C(=O)c3ccccc3C(=O)c2c1N
InChI
InChI=1S/C21H16N2O5S/c1-28-16-11-15(23-29(26,27)12-7-3-2-4-8-12)17-18(19(16)22)21(25)14-10-6-5-9-13(14)20(17)24/h2-11,23H,22H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H16N2O5S1
Molecular Weight 408.08
AlogP 2.85
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 115.56
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 69563-51-5
NORMAN SUSDAT
FDA SRS BZF3HL8PG7
PubChem 112289
ChemSpider 100653.0
CONTENTS