CSC1=CC=C(C=C1)C(=O)C2=CC3=CC(=CN=C3N2S(=O)(=O)C4=CC=CC=C4)F
Name: [1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-(4-methylsulfanylphenyl)methanone
SMILES: CSC1=CC=C(C=C1)C(=O)C2=CC3=CC(=CN=C3N2S(=O)(=O)C4=CC=CC=C4)F

Molecular Processing

Molecular formula
C21H15FN2O3S2
Molecular weight
426.49
Exact mass
426.0508
XLogP
4.37
TPSA
69.03
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
110.37

Supplementary Information

InChIKey: XDUKKCJTQHBASV-UHFFFAOYSA-N
Synonyme
SCHEMBL1960830XDUKKCJTQHBASV-UHFFFAOYSA-N(1-benzenesulfonyl-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-(4-methylsulfanyl-phenyl)-methanone
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