1,3-BENZENEDISULFONAMIDE, 4-AMINO-6-CHLORO-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3A52O8YREJ
EPA CompTox DTXSID1059521

Structure

InChI Key IHJCXVZDYSXXFT-UHFFFAOYSA-N
Smiles C1=C(C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N)N
InChI
InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8Cl1N3O4S2
Molecular Weight 284.96
AlogP -0.78
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 146.34
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 121-30-2
NORMAN SUSDAT
FDA SRS 3A52O8YREJ
PubChem 67136
ChemSpider 60483.0
CONTENTS