Molecule

ID:21490

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClN₂O₂S
Molecular Mass
282.74594
Exact Mass
282.02297628
Charge
0
InChI
InChI=1S/C12H11ClN2O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,14H2
InChIKey
RBJGYDGKXTYSSL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)Cl
Isomeric Smiles
S(=O)(=O)(Nc1ccc(Cl)cc1)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
8.436069
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2353625
LogD (pH = 7.4)
2.2023265
Log P
2.2360299
Molar Refractivity
72.3954
Polarizability
28.210651
Polar Surface Area
72.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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