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

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3PBX963VQ3
EPA CompTox DTXSID6062701

Structure

InChI Key VOOHPYUBEFOAEZ-UHFFFAOYSA-N
Smiles Cc1ccc(cc1)S(=O)(=O)Nc1cc(Oc2ccccc2)c(N)c2c1C(=O)c1c(cccc1)C2=O
InChI
InChI=1S/C27H20N2O5S/c1-16-11-13-18(14-12-16)35(32,33)29-21-15-22(34-17-7-3-2-4-8-17)25(28)24-23(21)26(30)19-9-5-6-10-20(19)27(24)31/h2-15,29H,28H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H20N2O5S1
Molecular Weight 484.11
AlogP 4.95
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 115.56
Heavy Atoms 35.0

Cross References

Resources Reference
CAS NUMBER 2907-79-1
NORMAN SUSDAT
FDA SRS 3PBX963VQ3
PubChem 76197
ChemSpider 68680.0
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