C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3=C(C=CC(=C3F)F)F)C#N
Name: 1-(3-cyanophenyl)-3-[4-[(2,3,6-trifluorophenyl)methylsulfamoyl]phenyl]urea
SMILES: C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3=C(C=CC(=C3F)F)F)C#N

Molecular Processing

Molecular formula
C21H15F3N4O3S
Molecular weight
460.44
Exact mass
460.0817
XLogP
4.1
TPSA
111.09
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
32
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
0.048
Molar refractivity
110.58

Supplementary Information

InChIKey: CJOCZJWPIDYOMT-UHFFFAOYSA-N
Synonyme
SCHEMBL2762018CJOCZJWPIDYOMT-UHFFFAOYSA-N4-(3-(3-cyanophenyl)ureido)-N-(2,3,6-trifluorobenzyl)benzenesulfonamide4-[3-(3-Cyanophenyl)-ureido]-N-(2,3,6-trifluorobenzyl)-benzenesulfonamide4-[3-(3-cyano-phenyl)-ureido]-N-(2,3,6-trifluorobenzyl) -benzenesulfonamide4-[3-(3-cyano-phenyl)-ureido]-N-(2,3,6-trifluorobenzyl)-benzenesulfonamide
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