N-[3-(aminomethyl)phenyl]methanesulfonamide;hydrochloride
CAS No.：
Cat. No.: SC251082
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Product Name :N-[3-(aminomethyl)phenyl]methanesulfonamide;hydrochloride
Cat. No.: :SC251082
Purity / Specification :—
CAS No. :238428-26-7
MDL No. :MFCD09054706
Molecular Formula :C8H13ClN2O2S
LogP :0.94
Molecular Weight :236.71
TPSA :80.6
Category :Building Blocks
HSN Code :—
SMILES Code :CS(=O)(=O)Nc1cccc(CN)c1.Cl
Melting Point :—
InChI Key : :QRQYQHPUXNPLOG-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 236.7 Da
LogP ≤ 5✓ 0.94
HBD ≤ 5✓ 3
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i75/100
Good drug-like profile
Predicted LogP
i0.94log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 80.6Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.