CC(C1=CC(=C(C=C1F)Br)F)NS(=O)C(C)(C)C
Name: (R)-N-[(1S)-1-(4-bromo-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILES: CC(C1=CC(=C(C=C1F)Br)F)NS(=O)C(C)(C)C

Molecular Processing

Molecular formula
C12H16BrF2NOS
Molecular weight
340.23
Exact mass
339.0104
XLogP
3.84
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
73.5

Supplementary Information

InChIKey: UEHPLIMLAQRUMF-ULCDLSAGSA-N
Synonyme
UEHPLIMLAQRUMF-ULCDLSAGSA-N(R)-N-((S)-1-(4-bromo-2,5-difluorophenyl) ethyl)-2-methylpropane-2-sulfinamide(R)-N-((S)-1-(4-bromo-2,5-difluorophenyl)ethyl)-2-methylpropane-2-sulfinamide
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