2,5-dichlorobenzenesulfonamide

CAS No.：

Cat. No.: SC22181

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Product Name :2,5-dichlorobenzenesulfonamide

Cat. No.: :SC22181

Purity / Specification :—

CAS No. :7720-45-8

MDL No. :MFCD00099106

Molecular Formula :C₆H₅Cl₂NO₂S

LogP :1.40

Molecular Weight :226.07

TPSA :68.5

Category :Building Blocks

HSN Code :—

SMILES Code :NS(=O)(=O)c1cc(Cl)ccc1Cl

Melting Point :—

InChI Key : :UMHSKUILJUFIEK-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✓ 226.1 Da

LogP ≤ 5✓ 1.40

HBD ≤ 5✓ 1

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

82/100

Good drug-like profile

Predicted LogP

1.40log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 68.5Å² · 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.