4-hydrazinylbenzenesulfonamide;hydrochloride

CAS No.：

Cat. No.: SC251552

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Product Name :4-hydrazinylbenzenesulfonamide;hydrochloride

Cat. No.: :SC251552

Purity / Specification :—

CAS No. :27918-19-0

MDL No. :—

Molecular Formula :C₆H₁₀ClN₃O₂S

LogP :0.04

Molecular Weight :223.68

TPSA :107.0

Category :API Impurities

HSN Code :—

SMILES Code :C1=CC(=CC=C1NN)S(=O)(=O)N.Cl

Melting Point :—

InChI Key : :IKEURONJLPUALY-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 223.7 Da

LogP ≤ 5✓ 0.04

HBD ≤ 5✓ 4

HBA ≤ 10✓ 5

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

57/100

Moderate — typical building block

Predicted LogP

0.04log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS− unlikely

TPSA 107.0Å² · 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.