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Sulfamethizole

C9H10N4O2S2 — CID 5328

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChIInChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
InChIKeyVACCAVUAMIDAGB-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.23
Rot. Bonds3

About Sulfamethizole

Sulfamethizole (PubChem CID 5328) has the molecular formula C9H10N4O2S2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameSulfamethizole
PubChem CID5328
Molecular FormulaC9H10N4O2S2
Molecular Weight270.34 g/mol
Exact Mass270.02
IUPAC Name4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChIInChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
InChIKeyVACCAVUAMIDAGB-UHFFFAOYSA-N
XLogP1.23
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Sulfaethidole
CID 7181
Glybuthiazol
CID 10811
5-(4-Amino-3-iodobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 10874216
5-(4-Amino-3-fluorobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 10937101
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide
CID 2162129
4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 2175392
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzenesulfonamide
CID 2289519
N-[4-(5-Isopropyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenyl]-acetamide
CID 750640
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide
CID 2162125

Frequently Asked Questions

What is the IUPAC name of Sulfamethizole?
The IUPAC name of Sulfamethizole (CID 5328) is 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for Sulfamethizole?
The canonical SMILES for Sulfamethizole is Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.
What is the InChIKey of Sulfamethizole?
The InChIKey is VACCAVUAMIDAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13).
What are the key properties of Sulfamethizole?
Sulfamethizole has a molecular weight of 270.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Sulfamethizole is sourced from PubChem (CID 5328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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