CC1CN(C(CN1C(=O)COC2=C(C=C(C=C2)Cl)S(=O)(=O)N)C)CC3=CC=C(C=C3)F
Name: 5-chloro-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
SMILES: CC1CN(C(CN1C(=O)COC2=C(C=C(C=C2)Cl)S(=O)(=O)N)C)CC3=CC=C(C=C3)F

Molecular Processing

Molecular formula
C21H25ClFN3O4S
Molecular weight
469.97
Exact mass
469.1238
XLogP
2.63
TPSA
92.94
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
115.77

Supplementary Information

InChIKey: HZMPPBUHNQDFSQ-LSDHHAIUSA-N
Synonyms
SCHEMBL5056019SCHEMBL6076767HZMPPBUHNQDFSQ-LSDHHAIUSA-N5-chloro-2-{2-[4-(4-fluoro-benzyl)- (2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzenesulfonamide5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzenesulfonamide
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Involved in 4 reactions→

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