COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
Name: N-[3-(aminosulfonyl)phenyl]-2-(4-methoxyphenoxy)-5-nitro-benzamide
SMILES: COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1

Molecular Processing

Molecular formula
C20H17N3O7S
Molecular weight
443.44
Exact mass
443.0787
XLogP
3.3
TPSA
150.86
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.05
Molar refractivity
111.93

Supplementary Information

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