CC1CNCCN1S(=O)(=O)C2=CC=C(C=C2)Cl.Cl
Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILES: CC1CNCCN1S(=O)(=O)C2=CC=C(C=C2)Cl.Cl

Molecular Processing

Molecular formula
C11H16Cl2N2O2S
Molecular weight
311.23
Exact mass
310.031
XLogP
1.74
TPSA
49.41
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.455
Molar refractivity
74.92

Supplementary Information

InChIKey: XJEGPOUVRRGVIS-FVGYRXGTSA-N
Synonyme
SCHEMBL1429753XJEGPOUVRRGVIS-FVGYRXGTSA-NAKOS026514167(2S)-1-[(4-Chlorophenyl)sulfonyl]-2-methylpiperazine hydrochloride(2S)-1-[(4-Chlorophenyl)sulfonyl]-2-methyl piperazine hydrochloride
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