이름: 3-[N-(4-fluoro-2-trifluoromethylphenyl)sulfamoyl]-benzenesulfonic acid chloride
SMILES:
O=S(=O)(Cl)c1cccc(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)c1Molecular Processing
Molecular formula
C13H8ClF4NO4S2
Molecular weight
417.79
Exact mass
416.9519
XLogP
3.57
TPSA
80.31
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
81.69
Supplementary Information
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