Structure

InChI Key LKTQCHMFZBUPRO-UHFFFAOYSA-M
Smiles Cc1cc(c(cc1Cl)NN=C1C(=O)C=Cc2ccccc12)S(=O)(=O)[O-]
InChI
InChI=1S/C17H13ClN2O4S/c1-10-8-16(25(22,23)24)14(9-13(10)18)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21/h2-9,19H,1H3,(H,22,23,24)/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H12ClN2O4S
Molecular Weight 375.02
AlogP 2.96
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 98.66
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 73612-34-7
NORMAN SUSDAT