5-amino-2-methylbenzenesulfonamide

CAS No.：

Cat. No.: SC23448

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Product Name :5-amino-2-methylbenzenesulfonamide

Cat. No.: :SC23448

Purity / Specification :—

CAS No. :6973-09-7

MDL No. :MFCD0668107

Molecular Formula :C₇H₁₀N₂O₂S

LogP :0.20

Molecular Weight :186.23

TPSA :94.6

Category :Building Blocks

HSN Code :—

SMILES Code :Cc1ccc(N)cc1S(N)(=O)=O

Melting Point :—

InChI Key : :KTPBKMYOIFHJMI-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✓ 186.2 Da

LogP ≤ 5✓ 0.20

HBD ≤ 5✓ 2

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

61/100

Moderate — typical building block

Predicted LogP

0.20log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS− unlikely

TPSA 94.6Å² · 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.