CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CC(=CN=C32)C(F)(F)F
CAS: 1036027-56-1
Nombre: 1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CC(=CN=C32)C(F)(F)F

Molecular Processing

Molecular formula
C15H11F3N2O2S
Molecular weight
340.33
Exact mass
340.0493
XLogP
3.6
TPSA
51.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
78.5

Supplementary Information

InChIKey: RNKVQAUOKDXQIM-UHFFFAOYSA-N
Sinónimos
1036027-56-11H-PYRROLO[2,3-B]PYRIDINE, 1-[(4-METHYLPHENYL)SULFONYL]-5-(TRIFLUOROMETHYL)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine1-Tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridineSCHEMBL3500069SCHEMBL27774463DTXSID6011458391H-Pyrrolo[2,3-b]pyridine,1-[(4-methylphenyl)sulfonyl]-5-(trifluoromethyl)-5-Trifluoromethyl-1-tosyl-1H-pyrrolo[2,3-b]pyridine5-Trifluoromethyl-1-tosyl-1H-pyrrolo [2,3-b]pyridine1-(p-tolylsulfonyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine1-(4-Methylbenzene-1-sulfonyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine1-[(4-Methylphenyl)sulfonyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
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