C1=CC=C(C(=C1)C(=O)C2=C(C=C(C=C2)Cl)Cl)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O
Name: 4-[[2-(2,4-dichlorobenzoyl)phenyl]sulfamoyl]benzoic acid
SMILES: C1=CC=C(C(=C1)C(=O)C2=C(C=C(C=C2)Cl)Cl)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

Molecular Processing

Molecular formula
C20H13Cl2NO5S
Molecular weight
450.3
Exact mass
448.9891
XLogP
4.72
TPSA
100.54
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0
Molar refractivity
110.55

Supplementary Information

InChIKey: XQASDPVHFFPNSD-UHFFFAOYSA-N
Synonyme
SCHEMBL3044475XQASDPVHFFPNSD-UHFFFAOYSA-N4-[2-(2,4-Dichloro-benzoyl)-phenylsulfamoyl]-benzoic acid
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